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Medicinal Chemistry: Current Research Articles


 
Current research articles in the field of Medicinal Chemistry published in online journals.

The author- or copyrights of the listed research articles below are held by the respective authors or site operators, who are also responsible for the content of the presentations.

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On this page considered biochemistry journals:


Journal of Medicinal Chemistry - published by The American Chemical Society, ACS -
As the most cited journal in Medicinal Chemistry, the Journal of Medicinal Chemistry focuses on original research dealing with chemical-biological relationships, mainly the bond between molecular structure and biological activity.

Enzyme Inhibition and Medicinal Chem - published by Taylor & Francis -
... is an international and interdisciplinary vehicle publishing new knowledge and findings on enzyme inhibitors and inhibitory processes and agonist/antagonist receptor interactions in the development of medicinal and anti-cancer agents and an understanding of their action.

Medicinal Chemistry Research - published by Springer -
... offers prompt publication of novel experimental achievements in the many facets of drug design, drug discovery, and the elucidation of mechanisms of action of biologically active compounds.



Current research articles of the mentioned journals:


Synthesis, Antitubulin, and Antiproliferative SAR of Analogues of 2-Methoxyestradiol-3,17-O,O-bis-sulfamate

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 12 Mar 2010 | 7:42 pm CET

Synthesis and Biological Evaluation of 4-Anilinoquinolines as Potent Inhibitors of Epidermal Growth Factor Receptor

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 11 Mar 2010 | 8:53 pm CET

Synthesis of new series of pyrazolo[4,3-d]pyrimidin-7-ones and pyrido[2,3-d]pyrimidin-4-ones for their bacterial and cyclin-dependent kinases (CDKs) inhibitory activities

Abstract  
Two series of pyrazolo[4,3-d]pyrimidin-7-ones and pyrido[2,3-d]pyrimidin-4-ones were designed, synthesised, and evaluated for their antibacterial activities and CDKs inhibitory activities. The pyridazine derivative: 6-phenyl-5-phenylhydrazono-2,3,4,5-tetrahydropyridazine-3,4-dione (3a) revealed activity against Staphylococcus aureus as Gram-positive bacteria while compound 2-(2-Ethoxyphenyl-5-Phenylpiperazinosulfonamido)-3H-pyrido[2,3-d]pyrimidin-4-one (13c) was showing moderate antifungal activity against Candida albicans.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9328-z
  • Authors
    • Detlef Geffken, University of Hamburg Department of Pharmaceutical Chemistry, Institute of Pharmacy Hamburg Germany
    • Raafat Soliman, University of Alexandria Department of Pharmaceutical Chemistry, Faculty of Pharmacy Alexandria Egypt
    • Farid S. G. Soliman, University of Alexandria Department of Pharmaceutical Chemistry, Faculty of Pharmacy Alexandria Egypt
    • Magdi M. Abdel-Khalek, University of Alexandria Department of Pharmaceutical Chemistry, Faculty of Pharmacy Alexandria Egypt
    • Doaa A. E. Issa, University of Alexandria Department of Pharmaceutical Chemistry, Faculty of Pharmacy Alexandria Egypt

Source: Medicinal Chemistry Research | 11 Mar 2010 | 7:26 pm CET

Synthesis of piperazino and morpholino derivatives of aryloxypropane with potential analgesic and possible antimigraine activities

Abstract  
Modeling studies demonstrate that aryl piperazines (I), aryloxyalkylamines (II), phenylalkykamines (III) and indolylalkylamines (VI) may interact at 5-HT receptors in a similar manner. Examination of these structures (I–VI) reveals that all possess an aromatic moiety and terminal amine binding sites (Glennon et al., J Med Chem 32(8):1921–1926, 1989). In the present investigation a new series of aryloxyalkylamines (4, 5, 8, and 9) was designed and synthesized, in which the aromatic moiety is a phenyl group substituted at the 2,3-, 2,4-, 2,5-, or 2,6-positions by halogens and the terminal amine is N-methylpiperazine, or morpholine. In addition, the alkyl side chain is ethyl, or substituted ethyl at the α- or β-carbon by a methyl group. The length of the alkyl chain that separates the terminal amine from the ether oxygen atom of the aryloxy group is of major importance, and two-carbon chain appears optimal. The structures of the new compounds were assessed by microanalyses, IR, and NMR. The analgesic activity of selected compounds was performed on experimental animals and proved to be in the range of 85–100% relative to aspirin.
Graphical Abstract  
MediaObjects/44_2010_9316_Figa_HTML.gif

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9316-3
  • Authors
    • Abdulkhader M. Ismaiel, King Abdulaziz University Faculty of Pharmacy, Pharmaceutical Chemistry Department P. O. Box 80260 Jeddah 21589 Kingdom of Saudi Arabia
    • Laila M. Gad, King Abdulaziz University Faculty of Pharmacy, Pharmaceutical Chemistry Department P. O. Box 80260 Jeddah 21589 Kingdom of Saudi Arabia
    • Salah A. Ghareib, King Abdulaziz University Faculty of Pharmacy, Pharmacology and Toxicology Department P. O. Box 80260 Jeddah 21589 Kingdom of Saudi Arabia
    • Faida H. Bamanie, King Abdulaziz University Faculty of Faculty of medicine, Clinical Biochemistry Department P. O. Box 80260 Jeddah 21589 Kingdom of Saudi Arabia
    • Mohamed A. Moustafa, King Abdulaziz University Faculty of Pharmacy, Pharmaceutical Chemistry Department P. O. Box 80260 Jeddah 21589 Kingdom of Saudi Arabia

Source: Medicinal Chemistry Research | 11 Mar 2010 | 7:26 pm CET

Synthesis, characterization, antibiogram and DNA binding studies of novel Co(II), Ni(II), Cu(II), and Zn(II) complexes of Schiff base ligands with quinoline core

Abstract  
A series of Co(II), Ni(II), Cu(II), and Zn(II) complexes of Schiff base ligands L1H3 and L2H have been prepared. The ligands are synthesized by the condensation of 2-hydroxy-3-formylquinoline with salicyloylhydrazide and 2-hydrazinobenzothiazole in absolute ethanol. The prepared complexes were characterized by the analytical and spectral techniques. The stoichiometry of the complexes is found to be 1:1. The presence of coordinated and lattice water is confirmed by the TG and DTA studies. Subsequently all the prepared complexes were screened for antimicrobial activity against bacteria and fungi. The Cu(II) complexes have been found to be more active than the ligand. In addition the DNA binding/cleaving capacity of the compounds was analyzed by absorption spectroscopy, viscosity measurement, thermal denaturation, and gel electrophoresis methods.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9330-5
  • Authors
    • Gurunath S. Kurdekar, Karnatak University Department of Chemistry Pavate Nagar Dharwad 580 003 Karnataka India
    • Sathisha Mudigoudar Puttanagouda, Karnatak University Department of Chemistry Pavate Nagar Dharwad 580 003 Karnataka India
    • Naveen V. Kulkarni, Karnatak University Department of Chemistry Pavate Nagar Dharwad 580 003 Karnataka India
    • Srinivasa Budagumpi, Karnatak University Department of Chemistry Pavate Nagar Dharwad 580 003 Karnataka India
    • Vidyanand K. Revankar, Karnatak University Department of Chemistry Pavate Nagar Dharwad 580 003 Karnataka India

Source: Medicinal Chemistry Research | 11 Mar 2010 | 7:26 pm CET

Complexity in Influenza Virus Targeted Drug Design: Interaction with Human Sialidases

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 11 Mar 2010 | 7:01 pm CET

Exploring the Structural Requirements for Inhibition of the Ubiquitin E3 Ligase Breast Cancer Associated Protein 2 (BCA2) as a Treatment for Breast Cancer

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 11 Mar 2010 | 3:36 pm CET

Design, docking study and ADME prediction of Isatin derivatives as anti-HIV agents

Abstract  
Non-nucleoside reverse transcriptase inhibitors (NNRTI) has a definitive role and most commonly used in treatment of HIV infection. NNRTI act by binding to specific binding site (non-nucleoside binding pocket-NNBP) in reverse transcriptase (RT) enzyme. With the objective of developing efficient NNRTI, we have designed various Isatin analogs for effective treatment of AIDS and were subjected to molecular docking studies on five different crystal structures of RT complexed with five different ligands Nevirapine, Delaviridine, Efavirenz, Etravirine, and Rilpivirine. Combined dock-score of compound N21, N11, N23 was found to be comparable with standards indicated that Isatin analogs have good binding affinity for NNBP. Docking results suggested that these types of compounds could be binding in the NNRTI binding site in a similar mode to a known non-nucleoside inhibitors. ADME properties of Isatin analogs were also analyzed using Qikprop 2.5 tool of Schrodinger software.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9329-y
  • Authors
    • Vidya S. Pawar, AISSMS College of Pharmacy Department of Pharmaceutical Chemistry Near RTO, Kennedy Road Pune 411001 Maharashtra India
    • Deepak K. Lokwani, AISSMS College of Pharmacy Department of Pharmaceutical Chemistry Near RTO, Kennedy Road Pune 411001 Maharashtra India
    • Shashikant V. Bhandari, AISSMS College of Pharmacy Department of Pharmaceutical Chemistry Near RTO, Kennedy Road Pune 411001 Maharashtra India
    • Kailash G. Bothara, AISSMS College of Pharmacy Department of Pharmaceutical Chemistry Near RTO, Kennedy Road Pune 411001 Maharashtra India
    • Trupti S. Chitre, AISSMS College of Pharmacy Department of Pharmaceutical Chemistry Near RTO, Kennedy Road Pune 411001 Maharashtra India
    • Titiksh L. Devale, AISSMS College of Pharmacy Department of Pharmaceutical Chemistry Near RTO, Kennedy Road Pune 411001 Maharashtra India
    • Nileema S. Modhave, AISSMS College of Pharmacy Department of Pharmaceutical Chemistry Near RTO, Kennedy Road Pune 411001 Maharashtra India
    • Jignesh K. Parikh, AISSMS College of Pharmacy Department of Pharmaceutical Chemistry Near RTO, Kennedy Road Pune 411001 Maharashtra India

Source: Medicinal Chemistry Research | 11 Mar 2010 | 3:48 am CET

Structure−Activity Relationship for Thiohydantoin Androgen Receptor Antagonists for Castration-Resistant Prostate Cancer (CRPC)

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 10 Mar 2010 | 8:33 pm CET

Modified Cap Group Suberoylanilide Hydroxamic Acid Histone Deacetylase Inhibitor Derivatives Reveal Improved Selective Antileukemic Activity

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 10 Mar 2010 | 5:34 pm CET

Structure−Activity Relationships of Monomeric C2-Aryl Pyrrolo[2,1-c][1,4]benzodiazepine (PBD) Antitumor Agents

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 10 Mar 2010 | 3:19 pm CET

“Carba”-Analogues of Fentanyl are Opioid Receptor Agonists‡‡Dedicated to the memory of Ralph F. Hirschmann

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 10 Mar 2010 | 3:19 pm CET

Synthesis and in Vitro Biological Evaluation of Carbonyl Group-Containing Inhibitors of Vesicular Acetylcholine Transporter

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 10 Mar 2010 | 3:19 pm CET

Emerging Targets in Osteoporosis Disease Modification

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 10 Mar 2010 | 3:19 pm CET

Discovery of an Oxybenzylglycine Based Peroxisome Proliferator Activated Receptor α Selective Agonist 2-((3-((2-(4-Chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic Acid (BMS-687453)

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 10 Mar 2010 | 3:16 pm CET

3′-[4-Aryl-(1,2,3-triazol-1-yl)]-3′-deoxythymidine Analogues as Potent and Selective Inhibitors of Human Mitochondrial Thymidine Kinase

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 10 Mar 2010 | 3:15 pm CET

A Virtual Screening Hit Reveals New Possibilities for Developing Group III Metabotropic Glutamate Receptor Agonists

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 10 Mar 2010 | 3:14 pm CET

Discovery and Evaluation of 7-Alkyl-1,5-bis-aryl-pyrazolopyridinones as Highly Potent, Selective, and Orally Efficacious Inhibitors of p38α Mitogen-Activated Protein Kinase⊥⊥Atomic coordinates and structure factors for crystal structure of compound 3d with p38α can be accessed using PDB code 3LHJ

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 10 Mar 2010 | 3:14 pm CET

Synthesis and antiprotozoal activity of 1,2,3,4-tetrahydro-2-thioxopyrimidine analogs of combretastatin A-4

Abstract  
Eighteen 1,2,3,4-tetrahydro-2-thioxopyrimidine analogs (5aj, 6ae, and 7ac) of combretastatin A-4 were synthesized with the objective of discovering compounds capable of controlling the growth of Trypanosoma lewisii, Leishmania tarantole, Plasmodium falciparum, and Giardia lamblia. Even though the target compounds demonstrated differential cytotoxicity against mammalian cancer cells, with IC50 values ranging from 0.5 to >100 μM, the range of activity against Trypanosoma, Leishmania, and Plasmodium, and to a good extent for Giardia, was narrow. The IC50 values of “active” compounds against the parasites ranged from about 10 μΜ to slightly greater than 50 μΜ. Specifically, compounds 5a, 5g, 5h, 6c, 7a, and 7c were not cytotoxic against mammalian cancer cells (IC50 > 100 μM) but showed good activity against the parasites, except Giardia (e.g., compounds 6c and 7a), suggesting that these compounds may act in a similar mechanism in parasites. Compounds 5f and 6b were previously shown to promote microtubule depolymerization in mammalian cells.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9334-1
  • Authors
    • Dereje Desta, Hope College Division of Natural and Applied Sciences, Department of Chemistry 35 E 12th Street Holland MI 49422 USA
    • Robert Sjoholm, Hope College Division of Natural and Applied Sciences, Department of Chemistry 35 E 12th Street Holland MI 49422 USA
    • Lauren Lee, Hope College Division of Natural and Applied Sciences, Department of Chemistry 35 E 12th Street Holland MI 49422 USA
    • Megan Lee, Hope College Division of Natural and Applied Sciences, Department of Chemistry 35 E 12th Street Holland MI 49422 USA
    • Kristin Dittenhafer, Hope College Division of Natural and Applied Sciences, Department of Chemistry 35 E 12th Street Holland MI 49422 USA
    • Sarah Canche, Hope College Division of Natural and Applied Sciences, Department of Chemistry 35 E 12th Street Holland MI 49422 USA
    • Balaji Babu, Hope College Division of Natural and Applied Sciences, Department of Chemistry 35 E 12th Street Holland MI 49422 USA
    • Sameer Chavda, Hope College Division of Natural and Applied Sciences, Department of Chemistry 35 E 12th Street Holland MI 49422 USA
    • Christie Dewar, Provincial Laboratory for Public Health 8440-112th Street Edmonton AB T6G 2J2 Canada
    • Stephanie Yanow, Provincial Laboratory for Public Health 8440-112th Street Edmonton AB T6G 2J2 Canada
    • Aaron A. Best, Hope College Department of Biology Holland MI 49422 USA
    • Moses Lee, Hope College Division of Natural and Applied Sciences, Department of Chemistry 35 E 12th Street Holland MI 49422 USA

Source: Medicinal Chemistry Research | 10 Mar 2010 | 1:53 pm CET

QSAR modeling of some substituted alkylidenepyridazin-3-one as a non-cAMP-based antiplatelet agent

Abstract  
This study deals with the quantitative structure-activity relationship (QSAR) study of a series of 5-alkylidenepyridazine-3 (2H)-one as a novel non cAMP-based antiplatelet agent, using molecular descriptor derived from the 3D representation of the model with the CS Chem office version 8.0. Several types of molecular descriptor such as electronic, thermodynamic and steric have been used to derive a QSAR model between platelet inhibitory activity and structural properties. The best model for the prediction of platelet inhibitory activity was obtained by applying sequential multiple linear regression analysis method. Statically significant model with r 2 > 0.87 was obtained by using ovality (OV), dipole moment on z-axis (DPL3), HOMO energy (HE), standard Gibbs free energy (SGFE), total energy (TOE), torsion energy (TE) and non-1,4 VDW energy (NVDWE) descriptors. Regression coefficient of all descriptors used is significant at more than 99% level. Result shows that dipole moment DPL3 and OV are the principle descriptors for the inhibition of platelet aggregations. The model was also tested successfully for internal q 2 > 0.738 and external predictive r 2 > 0.520 validation criteria. We demonstrate that the steric, topological and electronic descriptors play an important role in inhibition of platelet aggregation of the alkylidenepyridazin-3-ones.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9333-2
  • Authors
    • Vivek K. Vays, Nirma University Department of Pharmaceutical Chemistry, Institute of Pharmacy S.G. Highway, Chharodi Ahmedabad 382 481 Gujarat India
    • Anurekha Jain, Rajiv Gandhi Technical University Department of Pharmaceutical Analysis, B. R. Nahata College of Pharmacy Mandasur 458 001 MP India
    • Manjunath Ghate, Nirma University Department of Pharmaceutical Chemistry, Institute of Pharmacy S.G. Highway, Chharodi Ahmedabad 382 481 Gujarat India
    • Deepika Maliwal, Rajiv Gandhi Technical University Department of Pharmaceutical Analysis, B. R. Nahata College of Pharmacy Mandasur 458 001 MP India

Source: Medicinal Chemistry Research | 10 Mar 2010 | 1:53 pm CET

6-Imino-2-thioxo-pyrimidinones as a new class of dipeptidyl peptidase IV inhibitors

Abstract  
Dipeptidyl peptidase IV is a glycoprotein which removes N-terminal dipeptides from physiologically relevant polypeptides. An homologous series of 6-imino-2-thioxo-5-{[3,4,5-tris(methyloxy)phenyl]methyl}-2,5-dihydro-4(3H)-pyrimidinones has been tested for inhibition of DPP IV activity. The inhibitory effects at 0.1 mM were observed. Enzyme kinetic studies revealed that compounds inhibit DPP IV activity competitively. According to the molecular docking analysis, the inhibitors are anchored into the DPP IV hydrolytic site by interactions of the pyrimidinone core with Glu206, Tyr662, and Tyr547, with the alkyl chain entering the S1 pocket. We conclude that pyrimidinone-like compounds are a promising new scaffold for reversible inhibition of DPP IV.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9314-5
  • Authors
    • Dubravko Jelić, GlaxoSmithKline Research Center Zagreb Ltd. Prilaz baruna Filipovića 29 10000 Zagreb Croatia
    • Krunoslav Nujić, GlaxoSmithKline Research Center Zagreb Ltd. Prilaz baruna Filipovića 29 10000 Zagreb Croatia
    • Višnja Stepanić, GlaxoSmithKline Research Center Zagreb Ltd. Prilaz baruna Filipovića 29 10000 Zagreb Croatia
    • Krunoslav Kovačević, GlaxoSmithKline Research Center Zagreb Ltd. Prilaz baruna Filipovića 29 10000 Zagreb Croatia
    • Donatella Verbanac, GlaxoSmithKline Research Center Zagreb Ltd. Prilaz baruna Filipovića 29 10000 Zagreb Croatia

Source: Medicinal Chemistry Research | 10 Mar 2010 | 1:53 pm CET

DNA cleavage and antimicrobial investigation of Co(II), Ni(II), and Cu(II) complexes with triazole Schiff bases: synthesis and spectral characterization

Abstract  
The Co(II), Ni(II), and Cu(II) complexes with Schiff bases derived from 3-substituted-4-amino-5-mercapto-1,2,4-triazole and fluvastatin have been synthesized. Schiff bases exhibited thiol–thione tautomerism and coordinated to metal ion through azomethine nitrogen and thiolate sulphur atoms. Square planar geometry for all the metal complexes of the type ML2 has been proposed in the light of analytical, spectral (IR, UV–Vis., ESR, and FAB-mass), magnetic, and thermal studies. The antimicrobial studies of Schiff bases and their metal complexes against various antibacterial (Escherichia coli, Staphylococcus aureus, Pseudomonas aeruginosa and Bacillus subtilis) and antifungal (Aspergillus niger, and Pencillium Chrysogenum) species by Minimum Inhibitory Concentration method revealed that, the metal complexes possess more healing antibacterial activity than the Schiff bases. Co(II), Ni(II), and Cu(II) complexes cleave the DNA isolated from A. niger.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9327-0
  • Authors
    • Ajaykumar D. Kulkarni, Karnatak University P.G. Department of Chemistry Dharwad 580003 Karnataka India
    • Sangamesh A. Patil, Karnatak University P.G. Department of Chemistry Dharwad 580003 Karnataka India
    • Vinod H. Naik, Karnatak University P.G. Department of Chemistry Dharwad 580003 Karnataka India
    • Prema S. Badami, Shri Sharanabasaveswar College of Science Department of Chemistry Gulbarga 585102 Karnataka India

Source: Medicinal Chemistry Research | 10 Mar 2010 | 1:53 pm CET

Synthesis and antitumor activities of unsymmetrically disubstituted acylthioureas fused with hydrophenanthrene structure

Abstract  
A series of novel unsymmetrically disubstituted acylthioureas fused with hydrophenanthrene structure were synthesized from Δ8-dihydroabietic and dehydroabietic acid, respectively. Their structures were characterized by IR, 1H-, and 13C-NMR spectroscopy. The antitumor activities of the title compounds against SMMC7721 and A549 tumor cells were evaluated by MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) method. The results showed that three compounds (4c1, 4d1, and 4d2) exhibited highly effective activities against SMMC7721 and A549 cells, their IC50 values are between 1.87–12.67 μM for SMMC7721 cells and 2.20–6.79 μM for A549 cells, respectively. Structure–activity relationship indicating that acylthioureas that furan group fused with Δ8-dihydroabietyl group, trihydroxymethyl fused with Δ8-dihydroabietyl and dehydroabietyl could generate enhance activities of this kind of compounds against SMMC7721 and A549 cells.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9303-8
  • Authors
    • Xiao-Ping Rao, Chinese Academy of Forestry Institute of Chemical Industry of Forest Products Nanjing 210042 People’s Republic of China
    • Yong Wu, Chinese Academy of Forestry Institute of Chemical Industry of Forest Products Nanjing 210042 People’s Republic of China
    • Zhan-Qian Song, Chinese Academy of Forestry Institute of Chemical Industry of Forest Products Nanjing 210042 People’s Republic of China
    • Shi-Bin Shang, Chinese Academy of Forestry Institute of Chemical Industry of Forest Products Nanjing 210042 People’s Republic of China
    • Zong-De Wang, Chinese Academy of Forestry Institute of Chemical Industry of Forest Products Nanjing 210042 People’s Republic of China

Source: Medicinal Chemistry Research | 10 Mar 2010 | 1:53 pm CET

Molecular modeling studies, synthesis and biological evaluation of derivatives of N-phenylbenzamide as Plasmodium falciparum dihydroorotate dehydrogenase (PfDHODH) inhibitors

Abstract  
The search for new antimalarial agents is necessary as current drugs in the market have become vulnerable due to the emergence of resistant strains of Plasmodium falciparum (Pf). The enzyme dihydroorotate dehydrogenase (PfDHODH) is a validated target for development of antimalarial agents. PfDHODH is a crucial enzyme in the de novo pyrimidine biosynthesis pathway and is essential for the growth of the parasite. In this article, we report the design, synthesis and evaluation of benzanilides as inhibitors of PfDHODH. From the pool of molecules designed using molecular modeling techniques, candidates were shortlisted for further evaluation based on docking scores and 3D-QSAR studies. The activities of these shortlisted analogs were predicted from CoMFA and CoMSIA models. The most promising molecules were synthesized using solvent-free microwave-assisted synthesis and their structures characterized by spectroscopic techniques. The molecules were screened for in vitro antimalarial activity by the whole cell assay method. Two molecules viz. KMC-3 and KMC-15 were found to be active at 8.7 and 5.7 μM concentrations, respectively.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9323-4
  • Authors
    • Kumar R. Desai, Bombay College of Pharmacy Department of Pharmaceutical Chemistry Kalina, Santacruz (E) Mumbai 400 098 India
    • Mushtaque S. Shaikh, Bombay College of Pharmacy Department of Pharmaceutical Chemistry Kalina, Santacruz (E) Mumbai 400 098 India
    • Evans C. Coutinho, Bombay College of Pharmacy Department of Pharmaceutical Chemistry Kalina, Santacruz (E) Mumbai 400 098 India

Source: Medicinal Chemistry Research | 10 Mar 2010 | 1:53 pm CET

Screening and evaluation of thiourea derivatives for their HIV capsid and human cyclophilin A inhibitory activity

Abstract  
New anti-HIV-1 drugs that target different viral proteins or genes at various steps in the viral life cycle are highly expected. HIV-1 assembly and disassembly (uncoating) processes are critical for the HIV-1 replication. HIV-1 capsid (CA) and human cyclophilin A (CypA) play essential roles in these processes. Using an in vitro screening system, we evaluated 52 thiourea derivatives for their potential CA and CypA-inhibiting activities. The antiviral activity of these compounds is correlated with their CA assembly inhibitory ability and with their anti-PPIase activity, suggesting that these compounds could block HIV-1 replication by disrupting CA assembly and inhibiting the PPIase activity of CypA to interfere with capsid disassembly. Among them, three compounds D4, D5, and D6 displayed the most promising potency with CA-assembly rate 15.78, 18.42, and 7.97(×10−5) OD/s, and their IC50 for inhibition of PPIase activity 0.45, 0.65, and 0.33 μM, respectively. The potent protein inhibitory activity resulted in their very low EC50 values (≤1.00 μM). They can be used for rational design of novel anti-HIV-1 drugs.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9315-4
  • Authors
    • Zhiwu Tan, Peking University Health Science Center State Key Laboratory of Natural and Biomimetic Drugs NO. 38, Haidian District Beijing People’s Republic of China
    • Jiebo Li, Peking University Health Science Center State Key Laboratory of Natural and Biomimetic Drugs NO. 38, Haidian District Beijing People’s Republic of China
    • Ruifang Pang, Peking University Health Science Center State Key Laboratory of Natural and Biomimetic Drugs NO. 38, Haidian District Beijing People’s Republic of China
    • Shanshan He, Peking University Health Science Center State Key Laboratory of Natural and Biomimetic Drugs NO. 38, Haidian District Beijing People’s Republic of China
    • Meizi He, Peking University Health Science Center State Key Laboratory of Natural and Biomimetic Drugs NO. 38, Haidian District Beijing People’s Republic of China
    • Shixing Tang, Food and Drug Administration Center for Biologics Evaluation and Research Bethesda MD 20892 USA
    • Indira Hewlett, Food and Drug Administration Center for Biologics Evaluation and Research Bethesda MD 20892 USA
    • Ming Yang, Peking University Health Science Center State Key Laboratory of Natural and Biomimetic Drugs NO. 38, Haidian District Beijing People’s Republic of China

Source: Medicinal Chemistry Research | 10 Mar 2010 | 1:53 pm CET

New Angiopep-Modified Doxorubicin (ANG1007) and Etoposide (ANG1009) Chemotherapeutics With Increased Brain Penetration

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 8 Mar 2010 | 8:02 pm CET

Radiosynthesis and Bioimaging of the Tuberculosis Chemotherapeutics Isoniazid, Rifampicin and Pyrazinamide in Baboons

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 8 Mar 2010 | 1:13 pm CET

Erratum: Corrections to Cationic Amphiphile with Shikimic Acid Headgroup Shows More Systemic Promise Than Its Mannosyl Analogue as DNA Vaccine Carrier in Dendritic Cell Based Genetic Immunization

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 5 Mar 2010 | 9:42 pm CET

Discovery, Biological Evaluation, and Structure−Activity Relationship of Amidine Based Sphingosine Kinase Inhibitors

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 5 Mar 2010 | 3:42 pm CET

Conformational Refinement of Hydroxamate-Based Histone Deacetylase Inhibitors and Exploration of 3-Piperidin-3-ylindole Analogues of Dacinostat (LAQ824)

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 5 Mar 2010 | 3:42 pm CET

2009 Reviewers

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 5 Mar 2010 | 3:42 pm CET

Sulfonamide Linked Neoglycoconjugates−A New Class of Inhibitors for Cancer-Associated Carbonic Anhydrases

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 4:49 pm CET

Direct Determination of the Insulin−Insulin Receptor Interface Using Transferred Cross-Saturation Experiments

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 1917-1922, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:56 am CET

Antitumor Agents. 272. Structure−Activity Relationships and In Vivo Selective Anti-Breast Cancer Activity of Novel Neo-tanshinlactone Analogues

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2299-2308, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:55 am CET

N-Heterocyclic Carbene-Amine Pt(II) Complexes, a New Chemical Space for the Development of Platinum-Based Anticancer Drugs

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2146-2154, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:51 am CET

Hybrid Molecules from Xanomeline and Tacrine: Enhanced Tacrine Actions on Cholinesterases and Muscarinic M1 Receptors

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2094-2103, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:51 am CET

Synthesis, in Vitro and in Vivo Biological Evaluation, Docking Studies, and Structure−Activity Relationship (SAR) Discussion of Dipeptidyl Boronic Acid Proteasome Inhibitors Composed of β-Amino Acids

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 1990-1999, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:50 am CET

Natural Product Chemistry for Drug Discovery (RSC Biomolecular Sciences No. 18)

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2329, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:50 am CET

Structural Insights into the Design of Small Molecule Inhibitors That Selectively Antagonize Mcl-1

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2314-2318, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:49 am CET

Michael Acceptor Based Antiplasmodial and Antitrypanosomal Cysteine Protease Inhibitors with Unusual Amino Acids

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 1951-1963, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:49 am CET

Cloning, Characterization, and Inhibition Studies of a β-Carbonic Anhydrase from Brucella suis

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2277-2285, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:48 am CET

Incorporation of Fluorinated Phenylalanine Generates Highly Specific Inhibitor of Proteasome’s Chymotrypsin-like Sites

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2319-2323, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:47 am CET

Discovery of 7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide (CUDC-101) as a Potent Multi-Acting HDAC, EGFR, and HER2 Inhibitor for the Treatment of Cancer

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2000-2009, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:47 am CET

1-(Indolin-1-yl)-1-phenyl-3-propan-2-olamines as Potent and Selective Norepinephrine Reuptake Inhibitors

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2051-2062, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:44 am CET

Structure−Activity Relationships of Polymyxin Antibiotics

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 1898-1916, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:41 am CET

Synthesis and Evaluation of Paracetamol Esters As Novel Fatty Acid Amide Hydrolase Inhibitors

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2286-2298, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:40 am CET

Discovery of 1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea (Nelotanserin) and Related 5-Hydroxytryptamine2A Inverse Agonists for the Treatment of Insomnia

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 1923-1936, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:37 am CET

Identification of Potent Pyrazolo[4,3-h]quinazoline-3-carboxamides as Multi-Cyclin-Dependent Kinase Inhibitors†

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2171-2187, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:36 am CET

Design, Synthesis, and Evaluation of 2-Methyl- and 2-Amino-N-aryl-4,5-dihydrothiazolo[4,5-h]quinazolin-8-amines as Ring-Constrained 2-Anilino-4-(thiazol-5-yl)pyrimidine Cyclin-Dependent Kinase Inhibitors

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2136-2145, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:32 am CET

The Amino-Terminus of Angiotensin II Contacts Several Ectodomains of the Angiotensin II Receptor AT1

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2063-2075, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:32 am CET

Small Molecule Inhibitors of the Neuropilin-1 Vascular Endothelial Growth Factor A (VEGF-A) Interaction

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2215-2226, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:31 am CET

Erratum: Corrections to Heat Shock Protein 90: Inhibitors in Clinical Trials

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2332, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:31 am CET

Enhancement of Hydrophobic Interactions and Hydrogen Bond Strength by Cooperativity: Synthesis, Modeling, and Molecular Dynamics Simulations of a Congeneric Series of Thrombin Inhibitors

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2126-2135, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:30 am CET

Synthesis and Biological Evaluation of Bupropion Analogues as Potential Pharmacotherapies for Smoking Cessation

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2204-2214, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:29 am CET

Toward Biophysical Probes for the 5-HT3 Receptor: Structure−Activity Relationship Study of Granisetron Derivatives

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2324-2328, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:28 am CET

BRAF Inhibitors Based on an Imidazo[4,5]pyridin-2-one Scaffold and a Meta Substituted Middle Ring

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 1964-1978, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:28 am CET

Novel Irreversible Epidermal Growth Factor Receptor Inhibitors by Chemical Modulation of the Cysteine-Trap Portion

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2038-2050, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:24 am CET

Highly Potent First Examples of Dual Aromatase−Steroid Sulfatase Inhibitors based on a Biphenyl Template†

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2155-2170, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:17 am CET

Structure-Based Design, Synthesis, and Biological Studies of New Anticancer Norindenoisoquinoline Topoisomerase I Inhibitors

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 1979-1989, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:16 am CET

Development of Potent and Selective Inhibitors of ecto-5′-Nucleotidase Based on an Anthraquinone Scaffold

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2076-2086, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:15 am CET

Discovery of 4-Amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamides As Selective, Orally Active Inhibitors of Protein Kinase B (Akt)

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2239-2249, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:14 am CET

Synthesis and Biological Evaluation of Botulinum Neurotoxin A Protease Inhibitors

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2264-2276, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:13 am CET

The Discovery of 4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]-3-thienyl}carbonyl)amino]cyclopropyl}benzoic Acid (MK-2894), A Potent and Selective Prostaglandin E2 Subtype 4 Receptor Antagonist†

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2227-2238, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:13 am CET

Photooxidation and Phototoxicity of π-Extended Squaraines

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2188-2196, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:12 am CET

1-Alkyl-4-phenyl-6-alkoxy-1H-quinazolin-2-ones: A Novel Series of Potent Calcium-Sensing Receptor Antagonists

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2250-2263, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:12 am CET

Synthesis and Uptake of Fluorescence-Labeled Combi-molecules by P-Glycoprotein-Proficient and -Deficient Uterine Sarcoma Cells MES-SA and MES-SA/DX5

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2104-2113, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:11 am CET

Erratum: Corrections to Discovery of Leukotriene A4 Hydrolase Inhibitors Using Metabolomics Biased Fragment Crystallography

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2330-2331, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:11 am CET

5-Amino-2-Aroylquinolines as Highly Potent Tubulin Polymerization Inhibitors

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2309-2313, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:10 am CET

Perspectives of P-Glycoprotein Modulating Agents in Oncology and Neurodegenerative Diseases: Pharmaceutical, Biological, and Diagnostic Potentials

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 1883-1897, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:09 am CET

Discovery of 4-(4-(2-((5-Hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)(propyl)amino)ethyl)piperazin-1-yl)quinolin-8-ol and Its Analogues as Highly Potent Dopamine D2/D3 Agonists and as Iron Chelator: In Vivo Activity Indicates Potential Application in Symptomatic and Neuroprotective Therapy for Parkinson’s Disease

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2114-2125, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:07 am CET

Biological and Biophysical Properties of the Histone Deacetylase Inhibitor Suberoylanilide Hydroxamic Acid Are Affected by the Presence of Short Alkyl Groups on the Phenyl Ring

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 1937-1950, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:03 am CET

Structural Basis for Platelet Antiaggregation by Angiotensin II Type 1 Receptor Antagonist Losartan (DuP-753) via Glycoprotein VI

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2087-2093, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:02 am CET

Piperazinyl Glutamate Pyridines as Potent Orally Bioavailable P2Y12 Antagonists for Inhibition of Platelet Aggregation

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2010-2037, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:01 am CET

Piracetam Defines a New Binding Site for Allosteric Modulators of α-Amino-3-hydroxy-5-methyl-4-isoxazole-propionic Acid (AMPA) Receptors

Journal of Medicinal Chemistry, Volume 53, Issue 5, Page 2197-2203, March 11, 2010.

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Mar 2010 | 6:00 am CET

Development of Novel, Highly Potent Inhibitors of V-RAF Murine Sarcoma Viral Oncogene Homologue B1 (BRAF): Increasing Cellular Potency through Optimization of a Distal Heteroaromatic Group

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 3 Mar 2010 | 8:52 pm CET

In Vitro and In Vivo Photocytotoxicity of Boron Dipyrromethene Derivatives for Photodynamic Therapy

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 3 Mar 2010 | 2:24 pm CET

Hepatoprotective properties of Morinda pubescens J.E. Smith (Morinda tinctoria Roxb.) fruit extract

Abstract  
The present study evaluated the hepatoprotective properties of Morinda pubescens fruit extract against d-galactosamine (d-GalN)-induced liver injury in rats. The fruit extract of M. pubescens was administrated orally at 200 mg/kg of body weight daily once for 21 days and at 21st day, d-GalN (500 mg/kg of body weight) was injected intraperitoneally in rats, to induce liver damage. In d-GalN administrated rats, significant increase in the levels of serum marker enzymes and lipid peroxidation (LPO) in liver and decreased serum and liver antioxidant levels were observed. Pre-treatment with fruit extract to rats reduced the elevated levels of serum marker enzymes and also improves the levels of fucose, ceruloplasmin, and uric acid. Administration of M. pubescens fruit extract prevented increase of LPO and alteration in iron content in experimental animals, besides, considerably increased the levels of glutathione (GSH) and vitamin E when compared to d-GalN intoxicated animals. The present results suggest that the M. pubescens fruit extract has liver-protective property against d-GalN-induced liver injury in rats, which was further confirmed by histopathological studies. The hepatoprotective potentials of fruits of M. pubescens may be due to the presence of phenols and alkaloids, as analyzed by preliminary phytochemical analysis of fruit extract.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9317-2
  • Authors
    • G. Surendiran, University of Madras Biocontrol and Microbial Metabolites Lab, Centre for Advanced Studies in Botany Guindy Campus Chennai 600 025 Tamil Nadu India
    • N. Mathivanan, University of Madras Biocontrol and Microbial Metabolites Lab, Centre for Advanced Studies in Botany Guindy Campus Chennai 600 025 Tamil Nadu India

Source: Medicinal Chemistry Research | 3 Mar 2010 | 9:06 am CET

Design, Synthesis, and Biological Evaluation of 3-[4-(2-Hydroxyethyl)piperazin-1-yl]-7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1H)-one, a Potent, Orally Active, Brain Penetrant Inhibitor of Phosphodiesterase 5 (PDE5)

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 2 Mar 2010 | 9:21 pm CET

Book Review of Comprehensive Organic Name Reactions and Reagents

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 2 Mar 2010 | 9:20 pm CET

Synthesis, cytostatic and anti-viral activity evaluation of the novel acyclic nucleoside analogues containing a sterically constrained (Z)-4-amino-2-butenyl moiety

Abstract  
A series of the novel pyrimidine (36) and purine (1215, 1821) acyclic nucleoside analogues in which the sugar moiety was replaced by a sterically constrained Z-4-amino-, 4-aminohydrochloride-2-butenyl, or aliphatic 4-aminohydrochloride-2-butyl moiety were synthesized and evaluated for their anti-viral and cytostatic activity potency. Cytostatic evaluation of the novel compounds on selected panel of human tumour-cell lines showed that the majority of compounds exerted a non-specific anti-proliferative effect at the highest tested concentration (i.e. 1 × 10−4 M) against all cell lines. Nevertheless, a rather moderate but selective anti-proliferative effects on HeLa cell cultures in comparison to normal fibroblasts WI 38, were observed for compounds 15 and 21. No anti-viral activity was observed, except for compounds 3, 4, 5 and 19 that showed anti-HIV activity at 50% effective concentration ranging between 10 and 96 μM.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9318-1
  • Authors
    • Karlo Wittine, University of Zagreb Department of Organic Chemistry, Faculty of Chemical Engineering and Technology Marulićev trg 19 10000 Zagreb Croatia
    • Krešimir Benci, University of Zagreb Department of Organic Chemistry, Faculty of Chemical Engineering and Technology Marulićev trg 19 10000 Zagreb Croatia
    • Sandra Kraljević Pavelić, Ruđer Bošković Institute Division of Molecular Medicine, Laboratory for systems biomedicine Bijenička cesta 54 P. O. Box 1016 10001 Zagreb Croatia
    • Krešimir Pavelić, Ruđer Bošković Institute Division of Molecular Medicine, Laboratory for systems biomedicine Bijenička cesta 54 P. O. Box 1016 10001 Zagreb Croatia
    • Siniša Bratulić, Ruđer Bošković Institute Division of Molecular Medicine, Laboratory for systems biomedicine Bijenička cesta 54 P. O. Box 1016 10001 Zagreb Croatia
    • Karlo Hock, Ruđer Bošković Institute Division of Molecular Medicine, Laboratory for systems biomedicine Bijenička cesta 54 P. O. Box 1016 10001 Zagreb Croatia
    • Jan Balzarini, Katholieke Universiteit Leuven Rega Institute for Medical Research Minderbroedersstraat 10 B-3000 Leuven Belgium
    • Mladen Mintas, University of Zagreb Department of Organic Chemistry, Faculty of Chemical Engineering and Technology Marulićev trg 19 10000 Zagreb Croatia

Source: Medicinal Chemistry Research | 2 Mar 2010 | 11:06 am CET

A rapid access to new coumarinyl chalcone and substituted chromeno[4,3-c]pyrazol-4(1H)-ones and their antibacterial and DPPH radical scavenging activities

Abstract  
A series of new coumarin derivatives 4 containing a chalcone moiety were synthesized by condensation of 3-acetyl-4-hydroxycoumarin 1 with aryl or heteroaryl aldehydes 2 in the presence of piperidine in chloroform. The interaction of 3-formyl-4-chloro-coumarin 3 with nitrogen compound nucleophiles are described and lead to the corresponding substituted chromen[4,3-c] pyrazol-4-ones 5. The structures of the obtained compounds were established on the basis of IR|1D|2D NMR, while crystal structure of 3-acetyl-4-hydroxy coumarin 1 was determined using X-ray diffraction and further were evaluated for possible antibacterial and antioxidant activities. The coumarinic chalcone 4d has been found to be the most active (IC50 = 2.07 μM) in this study.

  • Content Type Journal Article
  • Category Review
  • DOI 10.1007/s00044-010-9326-1
  • Authors
    • Naceur Hamdi, Borj Cedria Higher Institute of Sciences and Technology Environment Touristic Road of Soliman B.P. 95. 2050 Hammam-Lif Tunisia
    • Cédric Fischmeister, Université Rennes 1, Laboratoire Catalyse et Organométalliques CNRS-UMR “Sciences Chimiques de Rennes” 263 avenue du général Leclerc Bâtiment 10C 35042 Rennes cedex France
    • M. Carmen Puerta, Universidad de Cádiz Departamento de Ciencia de los Materiales Ingeniería Metalúrgica y Química Inorgánica, Facultad de Ciencias Campus del Río San Pedro 11510 Puerto Real Spain
    • Pedro Valerga, Universidad de Cádiz Departamento de Ciencia de los Materiales Ingeniería Metalúrgica y Química Inorgánica, Facultad de Ciencias Campus del Río San Pedro 11510 Puerto Real Spain

Source: Medicinal Chemistry Research | 2 Mar 2010 | 11:06 am CET

Synthesis and antimicrobial activities of novel bisacridine-1,8-dione derivatives

Abstract  
A series of bisacridine-1,8-dione derivatives were synthesized by one-pot reaction of aromatic dialdehydes, dimedone or cyclohexane-1,3-dione and primer aromatic amines in acetonitrile to utilizing Amberlyst-15 as a heterogeneous catalyst. The structures of compounds were characterized by FT-IR, NMR, and elemental analysis. Antimicrobial activities of these compounds were determined by using the disc diffusion method against to these gram-positive and gram-negative bacteria and yeast. The results were compared with reference discs.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9321-6
  • Authors
    • Muharrem Kaya, Dumlupınar University Faculty of Science and Arts, Chemistry Department 43100 Kütahya Turkey
    • Yılmaz Yıldırır, Gazi University Faculty of Science and Arts, Chemistry Department Teknikokullar 06500 Ankara Turkey
    • Gökçen Y. Çelik, Niğde University Faculty of Science and Arts, Biology Department 51240 Niğde Turkey

Source: Medicinal Chemistry Research | 2 Mar 2010 | 11:06 am CET

Potent in vitro and in vivo antitubercular activity of certain newly synthesized indophenazine 1,3,5-trisubstituted pyrazoline derivatives bearing benzofuran

Abstract  
Fourteen newly synthesized derivatives of indophenazine 1,3,5-trisubstituted pyrazoline bearing benzofuran were prepared from benzofuran chalcones with indophenazine hydrazide through cycloaddition reaction. All the compounds were screened for their in vitro and in vivo antitubercular activity against drug resistant and multidrug-resistant Mycobacterium tuberculosis H37RV. The MIC50 and MIC90 were estimated and compared with rifampicin and gatifloxacin standard drugs. Nitro group containing at ortho 5j, meta 5e, furan ring containing 5m and ortho 5i, para 5h chloro containing compounds were exhibited significant in vitro, in vivo antitubercular activity against standard drugs.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9322-5
  • Authors
    • Kuntal Manna, Nirma University Department of Pharmaceutical Chemistry, Institute of Pharmacy Sarkhej-Gandhinagar Highway Ahmedabad 382481 Gujarat India
    • Yadvendra K. Agrawal, Gujarat Forensic Sciences University Institute of Research and Development Sector 18-A, Near Police Bhavan Gandhinagar 382007 Gujarat India

Source: Medicinal Chemistry Research | 2 Mar 2010 | 11:06 am CET

Synthesis and anti-congestive heart failure activity of novel levosimendan analogues

Abstract  
A series of levosimendan analogues were designed and synthesized, employing the Friedel–Crafts reaction, hydrolysis, and cyclization from the key intermediate compound R(−)-6-(4-aminophenyl)-5-methyl-4, 5-dihydro-3(2H)-pyridazinone, which was obtained from the starting material, acetanilide. These compounds, except 1b, exhibited potent anti-congestive heart failure activities, especially the compounds 1e and 1k, which showed more effective action than levosimendan.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9319-0
  • Authors
    • Lisheng Wang, Guangxi University College of Chemistry and Chemical Engineering Nanning 530004 China
    • Hongxiang Zhou, Guangxi University College of Chemistry and Chemical Engineering Nanning 530004 China
    • Bin Yang, Guangxi University College of Chemistry and Chemical Engineering Nanning 530004 China
    • Zhigang Chen, Guangxi University College of Chemistry and Chemical Engineering Nanning 530004 China
    • Hua Yang, Guangxi University College of Chemistry and Chemical Engineering Nanning 530004 China

Source: Medicinal Chemistry Research | 2 Mar 2010 | 11:06 am CET

Structure−Activity Relationship of (N)-Methanocarba Phosphonate Analogues of 5′-AMP as Cardioprotective Agents Acting Through a Cardiac P2X Receptor

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 1 Mar 2010 | 6:55 pm CET

Synthesis and QSAR of Quinazoline Sulfonamides As Highly Potent Human Histamine H4 Receptor Inverse Agonists

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 1 Mar 2010 | 3:10 pm CET

Fragment-Based Deconstruction of Bcl-xL Inhibitors

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 1 Mar 2010 | 3:10 pm CET

Fluorescent Epigenetic Small Molecule Induces Expression of the Tumor Suppressor Ras-Association Domain Family 1A and Inhibits Human Prostate Xenograft

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 25 Feb 2010 | 4:26 pm CET

Discovery of a Biaryl Cyclohexene Carboxylic Acid (MK-6892): A Potent and Selective High Affinity Niacin Receptor Full Agonist with Reduced Flushing Profiles in Animals as a Preclinical Candidate

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 25 Feb 2010 | 4:26 pm CET

Identification of Inhibitors of Drug-Resistant Candida albicans Strains from a Library of Bicyclic Peptidomimetic Compounds

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 25 Feb 2010 | 4:26 pm CET

A theoretical study of salicylate oxidation for ADME prediction

Abstract  
The salicylic acid oxidation has been explained by a mechanism involving single electron transfer oxidation and single hydrogen transfer using quantum chemistry calculations at the B3LYP theory level, together with the 6-311G** basis set. These methods were employed to obtain energy (E), ionization potential (IP), bond dissociation energies (BDE), and spin density distribution of the salicylic acid. The results show no discrepant behaviors between electron and hydrogen transfer in the regioselective hydroxylation of salicylic acid by cytochrome P-450. The unpaired electron remains localized on the O7 phenolic oxygen (0.26 and 0.38), C1 carbon atoms at the carbonyl group (0.12 and 0.28), C2 carbon atom at the hydroxyl group (0.15 and 0.00), C3 carbon atom at the hydroxyl group (0.22 and 0.30), and C5 carbon atom (0.40 and 0.41) for cation free radical and semiquinone form, respectively. Calculations of spin densities showed that chemistry reactivity is more favored in the positions C5 > C3 > C1 to form salicylate derivatives. These results supported the salicylic acid as scavenger derivatives in the lipid peroxidation. Furthermore, we suggest a conventional proton and secondary electron abstraction, and semiquinone form by [1,5] hydrogen shift between phenol and carbonyl groups.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9320-7
  • Authors
    • R. Santos Borges, Universidade Federal do Pará Faculdade de Farmácia, Laboratório de Química Farmacêutica, Instituto de Ciências da Saúde Belém PA 66075-110 Brazil
    • A. P. Salgado Mendes, Universidade Federal do Pará Faculdade de Farmácia, Laboratório de Química Farmacêutica, Instituto de Ciências da Saúde Belém PA 66075-110 Brazil
    • B. H. Souza e Silva, Universidade Federal do Pará Faculdade de Farmácia, Laboratório de Química Farmacêutica, Instituto de Ciências da Saúde Belém PA 66075-110 Brazil
    • C. Nahum Alves, Universidade Federal do Pará Faculdade de Química, Laboratório de Planejamento e Desenvolvimento de Fármacos, Instituto de Ciências Exatas e Naturais Belém PA 66075-110 Brazil
    • J. L. Martins do Nascimento, Universidade Federal do Pará Faculdade de Biologia e Biomedicina, Laboratório de Neuroquímica Molecular e Celular, Instituto de Ciências Biológicas Belém PA 66075-110 Brazil

Source: Medicinal Chemistry Research | 25 Feb 2010 | 9:01 am CET

In vitro antimycobacterial activity of novel N′-(4-(substituted phenyl amino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl)isonicotinohydrazide

Abstract  
A variety of N′-(4-(substituted phenyl amino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl)isonicotinohydrazide, 7ar were synthesized by using 2-aminopyridine, isonicotic acid hydrazide and cyanuric chloride, and the structures of these compounds were confirmed by IR and NMR (1H and 13C) spectral analyses. Newly synthesized compounds were tested for their in vitro anti-tubercular activity against Mycobacterium tuberculosis H37Rv using the BACTEC 460 radiometric system.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9324-3
  • Authors
    • Jignesh Priyakant Raval, New Vallabh Vidyanagar Department of Pharmaceutical Chemistry, Ashok & Rita Patel Institute of Integrated Study and Research in Biotechnology and Allied Sciences (ARIBAS) Gujarat 388121 India
    • Nilesh Hasmukhbhai Patel, New Vallabh Vidyanagar Department of Pharmaceutical Chemistry, Ashok & Rita Patel Institute of Integrated Study and Research in Biotechnology and Allied Sciences (ARIBAS) Gujarat 388121 India
    • Hemul Vinubhai Patel, New Vallabh Vidyanagar Department of Pharmaceutical Chemistry, Ashok & Rita Patel Institute of Integrated Study and Research in Biotechnology and Allied Sciences (ARIBAS) Gujarat 388121 India
    • Pradip Shantibhai Patel, New Vallabh Vidyanagar Department of Pharmaceutical Chemistry, Ashok & Rita Patel Institute of Integrated Study and Research in Biotechnology and Allied Sciences (ARIBAS) Gujarat 388121 India

Source: Medicinal Chemistry Research | 25 Feb 2010 | 9:01 am CET

Dopamine Receptor Ligands. Part 18:(1) Modification of the Structural Skeleton of Indolobenzazecine-Type Dopamine Receptor Antagonists

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 24 Feb 2010 | 7:01 pm CET

Membrane Permeable Cyclic Peptidyl Inhibitors against Human Peptidylprolyl Isomerase Pin1

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 24 Feb 2010 | 3:04 pm CET

Discovery of a Novel Series of Semisynthetic Vancomycin Derivatives Effective against Vancomycin-Resistant Bacteria

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 24 Feb 2010 | 3:03 pm CET

Prediction and Evaluation of Protein Farnesyltransferase Inhibition by Commercial Drugs

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 24 Feb 2010 | 3:02 pm CET

Potent Arylsulfonamide Inhibitors of Tumor Necrosis Factor-α Converting Enzyme Able to Reduce Activated Leukocyte Cell Adhesion Molecule Shedding in Cancer Cell Models

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 24 Feb 2010 | 2:01 pm CET

Discovery of Dipeptides with High Affinity to the Specific Binding Site for Substance P1−7

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 23 Feb 2010 | 4:49 pm CET

Discovery and SAR of Thiazolidine-2,4-dione Analogues as Insulin-like Growth Factor-1 Receptor (IGF-1R) Inhibitors via Hierarchical Virtual Screening

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 23 Feb 2010 | 4:49 pm CET

Intramolecular Hydrogen Bonding in Medicinal Chemistry

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 22 Feb 2010 | 6:11 pm CET

A Novel Insulin Secretagogue Based on a Dinucleoside Polyphosphate Scaffold(1)

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 22 Feb 2010 | 5:36 pm CET

Synthesis, Biological Activity, and Molecular Modeling Studies of 1H-1,2,3-Triazole Derivatives of Carbohydrates as α-Glucosidases Inhibitors

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 19 Feb 2010 | 10:28 pm CET

1-(Aryl)-6-[alkoxyalkyl]-3-azabicyclo[3.1.0]hexanes and 6-(Aryl)-6-[alkoxyalkyl]-3-azabicyclo[3.1.0]hexanes: A New Series of Potent and Selective Triple Reuptake Inhibitors

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 19 Feb 2010 | 10:24 pm CET

Development of Novel Adenosine Monophosphate-Activated Protein Kinase Activators

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 19 Feb 2010 | 10:24 pm CET

Identification of 2-Anilino-9-methoxy-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepin-6-ones as Dual PLK1/VEGF-R2 Kinase Inhibitor Chemotypes by Structure-Based Lead Generation

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 19 Feb 2010 | 7:29 pm CET

A New Class of Naphthalimide-Based Antitumor Agents That Inhibit Topoisomerase II and Induce Lysosomal Membrane Permeabilization and Apoptosis

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 19 Feb 2010 | 7:28 pm CET

Noncovalent Tripeptidyl Benzyl- and Cyclohexyl-Amine Inhibitors of the Cysteine Protease Caspase-1

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 19 Feb 2010 | 7:24 pm CET

N-Methyl Phenylalanine-Rich Peptides as Highly Versatile Blood−Brain Barrier Shuttles

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 19 Feb 2010 | 5:11 pm CET

Salicylic Acid Based Small Molecule Inhibitor for the Oncogenic Src Homology-2 Domain Containing Protein Tyrosine Phosphatase-2 (SHP2)

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 19 Feb 2010 | 4:32 pm CET

Novel Diamidino-Substituted Derivatives of Phenyl Benzothiazolyl and Dibenzothiazolyl Furans and Thiophenes: Synthesis, Antiproliferative and DNA Binding Properties

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 19 Feb 2010 | 4:32 pm CET

5-Cyclic Amine-3-arylsulfonylindazoles as Novel 5-HT6 Receptor Antagonists

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 19 Feb 2010 | 4:31 pm CET

Synthesis and Biological Activities of 2-Amino-1-arylidenamino Imidazoles as Orally Active Anticancer Agents

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 19 Feb 2010 | 4:31 pm CET

Identification of 3,4-Dihydroisoquinoline-2(1H)-sulfonamides as Potent Carbonic Anhydrase Inhibitors: Synthesis, Biological Evaluation, and Enzyme−Ligand X-ray Studies

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 19 Feb 2010 | 4:31 pm CET

Synthesis and Characterization of Rhenium and Technetium-99m Labeled Insulin

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 19 Feb 2010 | 4:31 pm CET

Bis(morpholino-1,3,5-triazine) Derivatives: Potent Adenosine 5′-Triphosphate Competitive Phosphatidylinositol-3-kinase/Mammalian Target of Rapamycin Inhibitors: Discovery of Compound 26 (PKI-587), a Highly Efficacious Dual Inhibitor

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 18 Feb 2010 | 5:23 pm CET

Discovery of Vaniprevir (MK-7009), a Macrocyclic Hepatitis C Virus NS3/4a Protease Inhibitor

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 17 Feb 2010 | 8:57 pm CET

Molecular Shape and Medicinal Chemistry: A Perspective

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 16 Feb 2010 | 2:35 pm CET

Leech-Derived Thrombin Inhibitors: From Structures to Mechanisms to Clinical Applications

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 15 Feb 2010 | 2:52 pm CET

Synthesis and Evaluation of a Set of 4-Phenylpiperidines and 4-Phenylpiperazines as D2 Receptor Ligands and the Discovery of the Dopaminergic Stabilizer 4-[3-(Methylsulfonyl)phenyl]-1-propylpiperidine (Huntexil, Pridopidine, ACR16)

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 15 Feb 2010 | 2:50 pm CET

Synthesis, anticonvulsant and toxicity screening of thiazolyl–thiadiazole derivatives

Abstract  Various thiazole-substituted thiadiazole derivatives (7at) were designed and synthesized using substituted acetophenones and substituted anilines as starting materials. Thiazole and thiadiazole moieties being anticonvulsants were clubbed together to get the titled compounds and their in vivo anticonvulsant screening were performed by two most adopted seizure models, maximal electroshock seizure (MES) and subcutaneous pentylenetetrazole (scPTZ). Three compounds 7i, 7l and 7n were found to be potent in both the screens with comparable ED50 and better TD50 values than some standard drugs. These compounds were also found to exert lesser toxic effects on liver.

  • Content Type Journal Article
  • Category Original Paper
  • DOI 10.1007/s00044-010-9313-6
  • Authors
    • Nadeem Siddiqui, Hamdard University Department of Pharmaceutical Chemistry, Faculty of Pharmacy Hamdard Nagar New Delhi 110062 India
    • Waquar Ahsan, Hamdard University Department of Pharmaceutical Chemistry, Faculty of Pharmacy Hamdard Nagar New Delhi 110062 India

Source: Medicinal Chemistry Research | 14 Feb 2010 | 7:52 am CET

In vitro antiradical properties and total phenolic contents in methanol extract/fractions from bark of Schleichera oleosa (Lour.) Oken

Abstract  This study was aimed at evaluating the free radical scavenging activity of methanol extract and fractions from the bark of Schleichera oleosa (Lour.) Oken by employing various well-established in vitro systems such as 2,2′-diphenyl-1-picrylhydrazyl (DPPH), deoxyribose degradation (non-site specific and site specific), reducing power, chelating power, and plasmid nicking assays. Total Phenol Content of the extracts was determined by the assay based on Folin-Ciocalteu’s method. In all the assays, it was observed that the residue fraction, left after the precipitation, was more effective in scavenging the free radicals than the aqueous extract and precipitates. The higher activity of residue fraction may be attributed to the greater amount of phenolic content present in it (942.4 mg/g GAE) as compared to precipitates and aqueous extract. The extract and fractions were found to possess potent antiradical properties, which may be due to either direct scavenging of free radicals or through metal chelation.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9297-2
  • Authors
    • Tarunpreet Singh Thind, Guru Nanak Dev University Department of Botanical and Environmental Sciences Amritsar 143005 Punjab India
    • Rajbir Singh, Guru Nanak Dev University Department of Botanical and Environmental Sciences Amritsar 143005 Punjab India
    • Rajbir Kaur, Guru Nanak Dev University Department of Botanical and Environmental Sciences Amritsar 143005 Punjab India
    • Geetanjali Rampal, Guru Nanak Dev University Department of Botanical and Environmental Sciences Amritsar 143005 Punjab India
    • Saroj Arora, Guru Nanak Dev University Department of Botanical and Environmental Sciences Amritsar 143005 Punjab India

Source: Medicinal Chemistry Research | 11 Feb 2010 | 12:39 pm CET

Small Molecule JNK (c-Jun N-Terminal Kinase) Inhibitors

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 10 Feb 2010 | 7:00 pm CET

Synthesis and biological evaluation of 2-amino-5-sulfanyl-1,3,4-thiadiazole derivatives as antidepressant, anxiolytics and anticonvulsant agents

Abstract  A new series of 2-amino-5-sulfanyl-1,3,4-thiadiazole derivatives has been synthesized. The newly synthesized compounds were characterized by analytical and spectral methods. Compounds were screened for central nervous system activity. Compounds 1, 5, 7, 10, 14 exhibited significant antidepressant, anxiolytic and anticonvulsant activity in comparison to the reference drugs.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9308-3
  • Authors
    • Rajesh Sharma, Devi Ahilya Vishwavidyalaya School of Pharmacy Thakshyasila Campus, Khandwa Road Indore Madhya Pradesh 452 001 India
    • Ganesh Prasad Misra, Devi Ahilya Vishwavidyalaya School of Pharmacy Thakshyasila Campus, Khandwa Road Indore Madhya Pradesh 452 001 India
    • Jitendra Sainy, Devi Ahilya Vishwavidyalaya School of Pharmacy Thakshyasila Campus, Khandwa Road Indore Madhya Pradesh 452 001 India
    • Subhash Chandra Chaturvedi, IPS Academy College of Pharmacy A.B. Road, Rau Indore Madhya Pradesh 452 001 India

Source: Medicinal Chemistry Research | 9 Feb 2010 | 6:47 pm CET

Synthesis and anti-inflammatory evaluation of some pyrazolo[3,4-b]pyridines

Abstract  Novel series of pyrazolo[3,4-b]pyridines with basic skeleton different from the known COX inhibitors were synthesized from 5-amino-1-[4-(aminosulfonyl)phenyl]-3-phenyl-1H-pyrazole, which in turn was prepared by the condensation of (4-sulfamoylphenyl)hydrazine with α-cyanoacetophenone. All the newly synthesized compounds were tested for their in vivo anti-inflammatory activity by carrageenan-induced rat paw edema assay. Some of the most potent compounds were evaluated in different COX and LOX assays. Some of the new compounds were found to possess moderate anti-inflammatory activity.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9312-7
  • Authors
    • Pawan K. Sharma, Kurukshetra University Department of Chemistry Kurukshetra 136119 India
    • Karan Singh, Kurukshetra University Department of Chemistry Kurukshetra 136119 India
    • Surender Kumar, Kurukshetra University Department of Chemistry Kurukshetra 136119 India
    • Pawan Kumar, Kurukshetra University Department of Chemistry Kurukshetra 136119 India
    • S. N. Dhawan, Kurukshetra University Department of Chemistry Kurukshetra 136119 India
    • Sukhbir Lal, Kurukshetra University Institute of Pharmaceutical Sciences Kurukshetra 136119 India
    • Holger Ulbrich, Johannes Gutenberg-University of Mainz Institute of Pharmacy Staudingerweg 5 55099 Mainz Germany
    • Gerd Dannhardt, Johannes Gutenberg-University of Mainz Institute of Pharmacy Staudingerweg 5 55099 Mainz Germany

Source: Medicinal Chemistry Research | 4 Feb 2010 | 7:14 pm CET

New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Feb 2010 | 4:43 pm CET

Quantum chemical-based drug–receptor interaction of tetrahydroimidobenzodiazepinones (HIV-1-NNRTIs) with receptor (HIV-1-NNRTI-binding pocket)

Abstract  The chemical forces responsible for interaction of drug (HIV-1-NNRTI) with receptor (HIV-1-NNRTI-binding pocket) have been studied by evaluating log P and SASA for the measurement of hydrophobic interaction; energy of protonation (ΔE) for the measurement of most favorable hydrogen bond acceptor site; bond length and bond strain for the measurement of strength of hydrogen bond formed between drug and receptor; ΔE nm  = ∣E n  − E m ∣ for the measurement of polar interaction. The molecular modeling and geometry optimization of the compounds (drugs) and receptor amino acids (Val, Met, and Tyr) have been done using MOPAC-2002 associated with CAChe software. Softness Calculator has been used to evaluate effective atomic softness (E n and E m ). The results indicate that there is strong and effective hydrophobic interaction between hydrophobic substituent at site-6 of the drug and Val-Y187 of the receptor; hydrophobic substituent at site-5 and Met-Y184. Similarly, hydrogen bonds are formed between N-atom (site-6) of the drug and H-atom of the phenolic group of the Tyr-Y188; between phenolic group of the Tyr-181 and H-atom (site-1) of the drug. Polar interaction (charge transfer) occurs between –C=O/S (site-2) of the drug and –CONH– of Asn-Y182-Tyr-Y183.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9298-1
  • Authors
    • Ahmad Khalid Raza Khan, Maharani Lal Kunwari Post Graduate College Department of Chemistry Balrampur U.P. India
    • Suhail Ahmad Khan, Maharani Lal Kunwari Post Graduate College Department of Chemistry Balrampur U.P. India
    • Mohiuddin Ansari, Maharani Lal Kunwari Post Graduate College Department of Chemistry Balrampur U.P. India

Source: Medicinal Chemistry Research | 3 Feb 2010 | 7:00 pm CET

In vitro bacteriostatic and DNA interaction studies of drug-based mixed-ligand complexes of cobalt(II)

Abstract  The dinuclear cobalt(II) complexes with ciprofloxacin and bidentate ligands were synthesized and characterized using infrared spectra, electronic spectra, magnetic measurements, elemental analyses, thermal investigation, and mass spectroscopy. Here in we tried to increase an antibacterial activity of ciprofloxacin drug due to formation of mixed-ligand complexes. Synthesized compounds were found to be more potent compared to drugs, ligands, and metal salt against selective gram(+ve) and gram(−ve) organisms. Interaction of the complexes with nucleic acid (DNA) was investigated using spectroscopic technique, viscosity measurement, and gel electrophoresis and it was found that the complexes bind to DNA via intercalative mode.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9310-9
  • Authors
    • Mohan Patel, Sardar Patel University Department of Chemistry Vallabh Vidyanagar 388 120 Gujarat India
    • Mehul Chhasatia, Sardar Patel University Department of Chemistry Vallabh Vidyanagar 388 120 Gujarat India
    • Bhupesh Bhatt, Sardar Patel University Department of Chemistry Vallabh Vidyanagar 388 120 Gujarat India

Source: Medicinal Chemistry Research | 2 Feb 2010 | 6:55 pm CET

The novel amidocarbamate derivatives of ketoprofen: synthesis and biological activity

Abstract  A series of novel ketoprofen derivatives 4aj bearing both amide and carbamate functionalities were prepared using the benzotriazole method of carboxylic and hydroxy group activation. Selective reduction of ketoprofen produced hydroxy derivative 2, which in the reaction with one or two moles of 1-benzotriazole carboxylic acid chloride (1) gave benzotriazole derivatives 3a and 3b, respectively. Compounds 3a and 3b with various amines afforded amidocarbamates 4aj. Antioxidative screenings revealed that the prepared compounds 3b and 4aj possess excellent lipid peroxidation inhibition at 0.1 mM concentration, higher than 95% for the derivatives bearing aromatic, cycloalkyl or heterocyclic substituents. Two of the compounds, 3b and 4g, also show high soybean lipoxygenase inhibition activity (95 and 83.5%, respectively). On the other hand, the amidocarbamate derivatives of ketoprofen show only weak reducing activity against 1,1-diphenyl-2-picrylhydrazyl radicals. No selective antiviral effects were noted for the tested compounds against a broad variety of DNA and RNA viruses. Most compounds were endowed with a moderate (IC50: 10–25 μM) cytostatic activity.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9309-2
  • Authors
    • Zrinka Rajić, University of Zagreb Department of Medicinal Chemistry, Faculty of Pharmacy and Biochemistry A. Kovačića 1 10000 Zagreb Croatia
    • Dimitra Hadjipavlou-Litina, Aristotles University of Thessaloniki School of Pharmacy 541 24 Thessaloniki Greece
    • Eleni Pontiki, Aristotles University of Thessaloniki School of Pharmacy 541 24 Thessaloniki Greece
    • Jan Balzarini, Katholieke Universiteit Leuven Rega Institute for Medical Research 3000 Leuven Belgium
    • Branka Zorc, University of Zagreb Department of Medicinal Chemistry, Faculty of Pharmacy and Biochemistry A. Kovačića 1 10000 Zagreb Croatia

Source: Medicinal Chemistry Research | 2 Feb 2010 | 6:55 pm CET

Poster presentation abstracts

Poster presentation abstracts

  • Content Type Journal Article
  • Category Abstracts
  • DOI 10.1007/s00044-010-9293-6

Source: Medicinal Chemistry Research | 1 Feb 2010 | 7:08 pm CET

Oral presentation abstracts

Oral presentation abstracts

  • Content Type Journal Article
  • Category Abstract
  • DOI 10.1007/s00044-010-9295-4

Source: Medicinal Chemistry Research | 1 Feb 2010 | 7:08 pm CET

Current Trends in Drug Discovery Research “CTDDR-2010”

Current Trends in Drug Discovery Research “CTDDR-2010”

  • Content Type Journal Article
  • Category Editorial
  • DOI 10.1007/s00044-010-9294-5
  • Authors
    • A. K. Saxena, Central Drug Research Institute Lucknow India

Source: Medicinal Chemistry Research | 1 Feb 2010 | 7:08 pm CET

Modification and biological evaluation of novel 4-hydroxy-pyrone derivatives as non-peptidic HIV-1 protease inhibitors

Abstract  In this study, we have modified 4-hydroxy-pyran-2-ones, especially introduced heteroatoms (S or O) into the substituents, and detected their interactions with the binding pockets of HIV-1 protease (PR). The results indicated that the ethoxyl groups at C-2′ and C-5′ of the phenyl ring could enhance the affinities to the S 1 ′ and S 2 ′ pockets and improve the inhibitory activities. The most potent compound 10f with an IC50 of 3.5 nM in enzymatic assay also exhibited good antiviral activity at the cellular level; it exhibited an EC50 value of 2.9 μM in Simian immunodeficiency virus-infected CEM cells and suppressed the PR activity in 293T cells using western blot analysis.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9307-4
  • Authors
    • Meizi He, Peking University Health Science Center State Key Laboratory of Natural and Biomimetic Drugs No. 38, Haidian District Beijing People’s Republic of China
    • Ning Yang, Peking University Health Science Center State Key Laboratory of Natural and Biomimetic Drugs No. 38, Haidian District Beijing People’s Republic of China
    • Chunlai Sun, Peking University Health Science Center State Key Laboratory of Natural and Biomimetic Drugs No. 38, Haidian District Beijing People’s Republic of China
    • Xiaojian Yao, University of Manitoba Laboratory of Molecular Human Retrovirology, Department of Medical Microbiology 508-745 William Avenue Winnipeg MB R3E OJ9 Canada
    • Ming Yang, Peking University Health Science Center State Key Laboratory of Natural and Biomimetic Drugs No. 38, Haidian District Beijing People’s Republic of China

Source: Medicinal Chemistry Research | 1 Feb 2010 | 7:08 pm CET

Invited abstracts

Invited abstracts

  • Content Type Journal Article
  • Category Abstract
  • DOI 10.1007/s00044-010-9296-3

Source: Medicinal Chemistry Research | 1 Feb 2010 | 7:08 pm CET

Mosquito larvicidal studies of some chalcone analogues and their derived products: structure–activity relationship analysis

Abstract  A series of chalcone analogues and some of their derivatives were synthesized and subjected to the mosquito larvicidal study. Chalcones having electron releasing group(s) on either ring A or ring B showed high toxicity. Electron withdrawing group(s), especially at ring B, reduced the activity of chalcones. The activity was abruptly decreased due to replacement of ring A by CH3, extension of conjugation or blocking of α,β-unsaturated ketone part of chalcones by derivatization. Quantitative structure–activity relationship (QSAR) studies of these compounds were performed using various spatial, electronic and physicochemical parameters. Genetic Function approximation with linear and spline options was used as the chemometric tool for developing the QSAR models.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9305-6
  • Authors
    • Naznin A. Begum, Department of Chemistry, Siksha Bhavana, Visva Bharati Bio-Organic Chemistry Laboratory Santiniketan 731 235 West Bengal India
    • Nayan Roy, Department of Chemistry, Siksha Bhavana, Visva Bharati Bio-Organic Chemistry Laboratory Santiniketan 731 235 West Bengal India
    • Rajibul A. Laskar, Department of Chemistry, Siksha Bhavana, Visva Bharati Bio-Organic Chemistry Laboratory Santiniketan 731 235 West Bengal India
    • Kunal Roy, Jadavpur University Drug Theoretics and Cheminformatics Laboratory, Department of Pharmaceutical Technology Kolkata 700 032 India

Source: Medicinal Chemistry Research | 1 Feb 2010 | 7:08 pm CET

Synthesis and analgesic effects of 2-(2-carboxyphenylsulfanyl)-N-(4-substitutedphenyl)acetamide derivatives

Abstract  This present study was undertaken to synthesize and investigate possible analgesic activities of some 2-(2-carboxyphenylsulfanyl)-N-(4-substitutedphenyl)acetamide derivatives that were designed by combining an analgesic drug thiosalicylic acid and the main pharmacophore group of paracetamol, N-(4-substitutedphenylacetamide). Chemical structures of synthesized compounds were elucidated by IR, 1H-NMR, and Mass spectral data. Paracetamol, thiosalicylic acid and some of the synthesized compounds in the series exhibited significant analgesic activities in hot-plate, tail-clip, and acetic acid-induced writhing tests. Compound 2d showed more potent analgesic activity than both paracetamol and thiosalicylic acid. None of the compounds changed the responses of animals recorded in Rota-Rod or activity cage tests with respect to control values. Therefore, analgesic activities of the synthesized compounds evaluated in this study were not caused by motor impairments or neurosedative effects.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9300-y
  • Authors
    • Ümide Demir Özkay, Anadolu University Faculty of Pharmacy, Department of Pharmacology 26470 Eskişehir Turkey
    • Yusuf Özkay, Anadolu University Faculty of Pharmacy, Department of Pharmaceutical Chemistry 26470 Eskişehir Turkey
    • Özgür Devrim Can, Anadolu University Faculty of Pharmacy, Department of Pharmacology 26470 Eskişehir Turkey

Source: Medicinal Chemistry Research | 1 Feb 2010 | 7:08 pm CET

Quantitative structure–activity relationships studies for prediction of antimicrobial activity of synthesized disulfonamide derivatives

Abstract  A new series of disulfonamides were synthesized and assayed as antimicrobial agents against Staphylococcus aureus, Bacillus cereus, and Escherichia coli. The quantitative structure–activity relationship analysis (QSAR) was applied to find out the correlation between experimentally evaluated antimicrobial activities with various parameters of the compounds using stepwise multiple liner regression method. The QSAR analysis revealed that the third-order average connectivity index
( 3 c\textA )
was found to have negative correlation. The best QSAR models were further validated by leave-one-out method of cross-validation.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9304-7
  • Authors
    • Saliha Alyar, Çankırı Karatekin University Department of Chemistry, Science and Art Faculty 18100 Çankırı Turkey
    • Neslihan Özbek, Ahi Evran University Department of Primary Education, Faculty of Education 40001 Kırşehir Turkey
    • Kübra Kuzukıran, Gazi University Department of Chemistry, Science and Art Faculty 06500 Ankara Turkey
    • Nurcan Karacan, Gazi University Department of Chemistry, Science and Art Faculty 06500 Ankara Turkey

Source: Medicinal Chemistry Research | 1 Feb 2010 | 7:08 pm CET

3D-QSAR studies of 4-quinolone derivatives as high-affinity ligands at the benzodiazepine site of brain GABAA receptors

Abstract  Three dimensional quantitative structure activity relationship approach using CoMFA and CoMSIA was applied to a series of 4-quinolone derivatives as high-affinity ligands at the benzodiazepine site of brain GABAA receptors. For the purpose, 27 compounds were used to develop models. 3D-QSAR models with high-squared correlation coefficient of up to 0.979 for CoMFA and 0.931 for CoMSIA were established. The robustness of the model was confirmed with the help of leave one out cross-validation method with r cv2 values of up to 0.526 and 0.546 for CoMFA and CoMSIA, respectively. Developed models highlighted the importance of shape of the molecules, i.e., steric descriptors for GABAA receptor binding.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9306-5
  • Authors
    • Anand Gaurav, Shobhit University School of Pharmaceutical Sciences Meerut 250110 India
    • Mange R. Yadav, The M.S University of Baroda Pharmacy Department, Faculty of Technology and Engineering, Kalabhavan Vadodara 390001 India
    • Rajani Giridhar, The M.S University of Baroda Pharmacy Department, Faculty of Technology and Engineering, Kalabhavan Vadodara 390001 India
    • Vertika Gautam, Shobhit University School of Pharmaceutical Sciences Meerut 250110 India
    • Ranjit Singh, Shobhit University School of Pharmaceutical Sciences Meerut 250110 India

Source: Medicinal Chemistry Research | 1 Feb 2010 | 7:08 pm CET

QSAR studies on estimation of monoamine oxidase-A inhibitory activity using topological descriptors

Abstract  Quantitative structure activity relationship analysis has been performed with 32 synthetically derived analogues for their inhibitory effects on monoamine oxidase-A using two-dimensional topological descriptors. The topological descriptors used being total structure connectivity index, mean square distance index, mean wiener index, all-path wiener index, kier flexibility index, eccentric index and superpendentic index. The statistical analysis has shown that excellent results are obtained by using multiple linear regression method. The best model was selected based on the highest R 2 value (0.904). The results are discussed critically using variety of statistical parameters such as squared correlation coefficient (R 2), adjusted R 2, predicted residual sum of square (PRESS) and Pogliani’s quality factor (Q). The models were validated by using the method of leave-one and leave-many out cross-validation methods.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9302-9
  • Authors
    • Vipin Kumar, Kurukshetra University Institute of Pharmaceutical Sciences Kurukshetra Haryana India 136119
    • Himangini Bansal, Kurukshetra University Institute of Pharmaceutical Sciences Kurukshetra Haryana India 136119

Source: Medicinal Chemistry Research | 1 Feb 2010 | 7:08 pm CET

Three-dimensional quantitative structure activity relationship analysis of anilinoquinazolines for c-Src kinase inhibition

Abstract  Three-dimensional quantitative structure activity relationship (3D-QSAR) models was developed using molecular field analysis (MFA) for 36 anilinoquinazoline derivatives, inhibiting c-Src kinase. The QSAR model was developed using 29 compounds and its predictive ability was assessed using a test set of seven compounds. The predictive 3D-QSAR model has conventional r 2 values of 0.961 while the cross-validated coefficient q 2 and bootstrap correlation coefficient r BS2 values of 0.910 and 0.957, respectively. The developed model provides a powerful tool to design potent c-Src inhibitors as novel antitumor agents. Six new inhibitors were designed and their pIC50 were predicted.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9301-x
  • Authors
    • Pratigya Silakari, Dr. H. S. Gour University Department of Chemistry Sagar MP 470 003 India
    • Savitri Devi Srivastava, Dr. H. S. Gour University Department of Chemistry Sagar MP 470 003 India
    • Dharam Veer Kohli, Dr. H. S. Gour University Department of Pharmaceutical Sciences Sagar MP 470 003 India
    • Santosh Kumar Srivastava, Dr. H. S. Gour University Department of Chemistry Sagar MP 470 003 India
    • Gyati Silakari, Dr. H. S. Gour University Department of Pharmaceutical Sciences Sagar MP 470 003 India
    • Bhawna Vyas, Multani Mal modi College Department of Pharmaceutical Chemistry Patiala India
    • Om Silakari, Punjabi University Department of Pharmaceutical Sciences and Drug Research Patiala Punjab 147002 India

Source: Medicinal Chemistry Research | 1 Feb 2010 | 7:08 pm CET

Evolving Carbapenemases: Can Medicinal Chemists Advance One Step Ahead of the Coming Storm?

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 1 Feb 2010 | 5:21 pm CET

Synthesis of novel isoxazolines via 1,3-dipolar cycloaddition and evaluation of anti-stress activity

Abstract  We have synthesized a series of novel isoxazolines via 1,3-dipolar cycloaddition of in situ generated nitrile oxide from 2,4-dimethoxy benzaldoxime and naphthaldehyde oxime with 4-allyl-2-methoxyphenol derivatives. The synthesized compounds were evaluated for anti-stress activity in acute stress (AS) induced peripheral changes. Adult male Sprague–Dawley rats, subjected to AS, cause a significant increase in gastric ulceration, adrenal gland weight, plasma glucose, corticosterone levels, and creatine kinase activity. Compounds 3d, 3g, 5b, 5c, 5d, and 5g displayed most promising anti-stress effect by reverting these peripheral stress parameters at a dose of 40 mg/kg p.o.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9299-0
  • Authors
    • Rakesh Maurya, Central Drug Research Institute, CSIR Division of Medicinal and Process Chemistry Lucknow 226 001 India
    • Ausaf Ahmad, Central Drug Research Institute, CSIR Division of Pharmacology Lucknow 226 001 India
    • Prasoon Gupta, Central Drug Research Institute, CSIR Division of Medicinal and Process Chemistry Lucknow 226 001 India
    • Kailash Chand, Central Drug Research Institute, CSIR Division of Medicinal and Process Chemistry Lucknow 226 001 India
    • Manmeet Kumar, Central Drug Research Institute, CSIR Division of Medicinal and Process Chemistry Lucknow 226 001 India
    • Jayendra, Central Drug Research Institute, CSIR Division of Medicinal and Process Chemistry Lucknow 226 001 India
    • Preeti Rawat, Central Drug Research Institute, CSIR Division of Medicinal and Process Chemistry Lucknow 226 001 India
    • Naila Rasheed, Central Drug Research Institute, CSIR Division of Pharmacology Lucknow 226 001 India
    • Gautam Palit, Central Drug Research Institute, CSIR Division of Pharmacology Lucknow 226 001 India

Source: Medicinal Chemistry Research | 28 Jan 2010 | 8:03 am CET

Comparative research of chemical constituents and bioactivities between petroleum ether extracts of the aerial part and the rhizome of Atractylodes macrocephala

Abstract  A new possible resource of antimicrobial and antineoplastic was discovered for the first time from the aerial part of Atractylodes macrocephala Koidz. which was commonly disposed as waste. A comparative analysis of the constituents from the petroleum ether extracts of the aerial part and the rhizome of A. macrocephala was investigated by gas chromatography–mass spectrometry (GC/MS). Total of 21 compounds of the aerial part and 31 compounds of the rhizome of A. macrocephala were determined. Although the extracts of the aerial part and the rhizome showed little chemical composition correlation, both of them demonstrated antimicrobial and antitumor activities. Furthermore, the aerial part showed better cytotoxic activities than the rhizome with CEM cell line of IC50 values being below 10 μg/ml. These results could indicate that fatty oils from the aerial part of A. macrocephala had great potential to be used as a source for natural medicines or health products.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-010-9311-8
  • Authors
    • Wei Peng, Second Military Medical University School of Pharmacy 325 Guohe Rd Shanghai 200433 China
    • Ting Han, Second Military Medical University School of Pharmacy 325 Guohe Rd Shanghai 200433 China
    • Wen-Bo Xin, Second Military Medical University School of Pharmacy 325 Guohe Rd Shanghai 200433 China
    • Xiao-Gang Zhang, Second Military Medical University School of Pharmacy 325 Guohe Rd Shanghai 200433 China
    • Qiao-Yan Zhang, Second Military Medical University School of Pharmacy 325 Guohe Rd Shanghai 200433 China
    • Min Jia, Second Military Medical University School of Pharmacy 325 Guohe Rd Shanghai 200433 China
    • Lu-Ping Qin, Second Military Medical University School of Pharmacy 325 Guohe Rd Shanghai 200433 China

Source: Medicinal Chemistry Research | 28 Jan 2010 | 8:03 am CET

Current and Future Medical Approaches To Combat the Anthrax Threat

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 26 Jan 2010 | 3:08 pm CET

2-Substituted-8-methyl-3,6-dihydroimidazo[4,5-c]pyrazolo[3,4-e]pyridazine as an anti-inflammatory agent

Abstract  A series of 8-methyl-2-substituted-3,6-dihydroimidazo[4,5-c]pyrazolo[3,4-e]pyridazine compounds have been synthesized in the present investigation utilizing Philips condensation (Philips, J Chem Soc 2393–2399, 1928). The anti-inflammatory activity of the synthesized compounds was evaluated using a carrageenin rat model.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-009-9290-9
  • Authors
    • Ashish Kumar Tewari, Banaras Hindu University Department of Chemistry, Faculty of Science Varanasi India
    • Rashmi Dubey, Lucknow University Department of Chemistry Lucknow India
    • Anil Mishra, Lucknow University Department of Chemistry Lucknow India

Source: Medicinal Chemistry Research | 22 Jan 2010 | 10:54 am CET

Optimization of quantitative analysis of buclizine hydrochloride using UV spectrophotometry in bulk drug and dosage formulations

Abstract  Development and validation of an analytical spectral calibration method to quantify buclizine hydrochloride, which is a piperazine derivative and used as a single active principle in pharmaceutical forms were done. The quantification of buclizine hydrochloride was performed in the wavelength range of 218–226 nm at N = 6. The linear regression equation has been constructed using relationship between concentration and absorbance at 218, 220, 222, 224, and 226 nm. The developed method was applied directly and easily to the analysis of the pharmaceutical tablet preparations. Mean %RSD was found to be 0.6231% (Longifene® tablet 25 mg). The method was completely validated and proven to be rugged. This validated UV spectrophotometric method is potentially useful for a routine laboratory analysis because of its simplicity, rapidity, sensitivity, precision, and accuracy.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-009-9286-5
  • Authors
    • Farhan Ahmed Siddiqui, University of Karachi Department of Chemistry Karachi 75270 Pakistan
    • Agha Zeeshan Mirza, University of Karachi Department of Chemistry Karachi 75270 Pakistan
    • M. Hashim Zuberi, University of Karachi Department of Chemistry Karachi 75270 Pakistan
    • Faiza Qureshi, University of Karachi Department of Chemistry Karachi 75270 Pakistan

Source: Medicinal Chemistry Research | 22 Jan 2010 | 10:54 am CET

Combinatorial approach: identification of potential antifungals from triazole minilibraries

Abstract  Employing basic principles of solution phase combinatorial chemistry, a solution phase combinatorial synthesis and screening of mini libraries of 1,2,4-triazole derivatives has been carried out. 6 × 6 indexed mini libraries were synthesized comprising of 36 compounds. The libraries were analyzed by liquid chromatography–mass spectrometry–mass spectrometry (LC–MS–MS) analysis. All the synthesized mini libraries were screened for antifungal activity and by deconvolution methodology leads for every fungi used for study were identified. The leads were synthesized individually and screened for activity. The antifungal activity of individually synthesized leads was improved as anticipated, in comparison with that of any of the mini libraries.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-009-9283-8
  • Authors
    • Manish Sudesh Bhatia, Bharati Vidyapeeth College of Pharmacy Department of Pharmaceutical Chemistry Near Chitranagri Kolhapur 416013 Maharashtra India
    • Bandu Eknath Zarekar, Bharati Vidyapeeth College of Pharmacy Department of Pharmaceutical Chemistry Near Chitranagri Kolhapur 416013 Maharashtra India
    • Prafulla Balkrishna Choudhari, Bharati Vidyapeeth College of Pharmacy Department of Pharmaceutical Chemistry Near Chitranagri Kolhapur 416013 Maharashtra India
    • Kundan Bhanudas Ingale, Bharati Vidyapeeth College of Pharmacy Department of Pharmaceutical Chemistry Near Chitranagri Kolhapur 416013 Maharashtra India
    • Neela Manish Bhatia, Bharati Vidyapeeth College of Pharmacy Department of Pharmaceutical Chemistry Near Chitranagri Kolhapur 416013 Maharashtra India

Source: Medicinal Chemistry Research | 8 Jan 2010 | 10:41 pm CET

Inhibitors of Prolyl Oligopeptidases for the Therapy of Human Diseases: Defining Diseases and Inhibitors

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 8 Jan 2010 | 3:13 pm CET

Small Molecules and Stem Cells. Potency and Lineage Commitment: The New Quest for the Fountain of Youth

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 4 Jan 2010 | 8:13 pm CET

The synthesis and screening of the antimicrobial activity of some novel 3-(furan-2-yl)-1-(aryl)-3-(phenylthio) propan-1-one derivatives

Abstract  A series of thiophenol adducts (3am) were prepared by addition of thiophenol to chalcones (1am) in the presence of a catalytic amount of KOt-Bu in solvent free conditions. In addition, the antibacterial and antifungal in vitro properties were tested against some human pathogenic microorganisms by employing the disk diffusion technique. A majority of compounds were remarkably active against several of the microorganisms. Compound 3i was determined to be the most active compound.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-009-9279-4
  • Authors
    • Mustafa Ceylan, Gaziosmanpasa University Department of Chemistry, Faculty of Arts and Sciences 60110 Tokat Turkey
    • Meliha Burcu Gürdere, Gaziosmanpasa University Department of Chemistry, Faculty of Arts and Sciences 60110 Tokat Turkey
    • İsa Karaman, Gaziosmanpasa University Department of Biology, Faculty of Arts and Sciences 60250 Tokat Turkey
    • Hayreddin Gezegen, Gaziosmanpasa University Department of Chemistry, Faculty of Arts and Sciences 60110 Tokat Turkey

Source: Medicinal Chemistry Research | 4 Jan 2010 | 7:44 am CET

Urotensin-II Receptor Modulators as Potential Drugs

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 31 Dec 2009 | 7:52 pm CET

Synthesis of novel 3-chloro-1-(5H-dibenz[b,f]azepine-5yl)propan-1-one derivatives with antioxidant activity

Abstract  A series of 3-chloro-1-(5H-dibenz[b,f]azepine-5yl)propan-1-one derivatives (2ak) bearing different amino acids were synthesized by base condensation reaction. 3-Chloro-1-(5H-dibenz[b,f]azepine-5yl)propan-1-one(2) was obtained by N-acylation of 5H-dibenz[b,f]azepine (1). All the synthesized compounds were evaluated for their potential over antioxidant activities against inhibition of lipid peroxidation by β-carotene and linoleic acid assay and inhibition of human low-density lipoprotein (LDL) oxidation assay. Typically, compound 2 showed weak antioxidant activity, whereas coupling of different amino acids enhances the antioxidant activities based on the presence of different functional groups. Among the derivatives, compound 2d showed significant antioxidant activities followed by 2h, 2i, 2j and 2k.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-009-9292-7
  • Authors
    • H. Vijay Kumar, University of Mysore Department of Studies in Chemistry Manasagangotri Mysore Karnataka 570 006 India
    • C. Kishor Kumar, University of Mysore Department of Studies in Chemistry Manasagangotri Mysore Karnataka 570 006 India
    • Nagaraja Naik, University of Mysore Department of Studies in Chemistry Manasagangotri Mysore Karnataka 570 006 India

Source: Medicinal Chemistry Research | 30 Dec 2009 | 5:47 pm CET

Synthesis and in vitro antimicrobial activity of benzo[b][1,4]thiazin-3(4H)-ones via smiles rearrangement

Abstract  New benzo[b][1,4]thiazin-3(4H)-one derivatives (compounds 12a–p) were synthesized via Smiles rearrangement and assayed in vitro for their antimicrobial activity against Gram-positive, Gram-negative bacteria and fungi. The antimicrobial activity of the benzo[b][1,4]thiazin-3(4H)-ones showed, on the whole, potent toward all tested Gram-positive and Gram-negative microorganism (minimal inhibitory concentration ranging from 16 to 64 μg/ml), whereas weak effectiveness was exhibited against fungi. Data obtained suggested that 12g, 12i, and 12o exerted the best antibacterial activity against Gram-positive bacteria and compound 12b demonstrated the best inhibition of Gram-negative bacteria. These observations provide some predictions to design further antimicrobial active compounds prior to their synthesis following with molecular modeling studies.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-009-9288-3
  • Authors
    • Hao Yang, Southwest University College of Horticulture and Landscape Architecture 400715 Chongqing China
    • Liang Fang, The Ninth People’s Hospital of Chongqing Department of Oncology 400700 Chongqing China
    • Zhu-Bo Li, Southwest University College of Pharmaceutical Sciences 400715 Chongqing China
    • Fang-Kui Ren, Southwest University College of Pharmaceutical Sciences 400715 Chongqing China
    • Li-Ying Wang, Southwest University College of Pharmaceutical Sciences 400715 Chongqing China
    • Xiao Tian, Southwest University College of Pharmaceutical Sciences 400715 Chongqing China
    • Dong-Soo Shin, Changwon National University Department of Chemistry 641-773 Changwon South Korea
    • Hua Zuo, Southwest University College of Pharmaceutical Sciences 400715 Chongqing China

Source: Medicinal Chemistry Research | 28 Dec 2009 | 6:53 pm CET

Synthesis and pharmacological screening of some novel chalconyl derivatives of substituted phenyl semicarbazide

Abstract  In the present study, we have synthesized chalcone and semicarbazide-linked chalonyl derivatives and the titled compounds confirmed by MS, IR, and 1H NMR techniques. The anticonvulsant activity was determined by maximal electroshock (MES) induced seizure method. A majority of the compounds exhibited significant anticonvulsant activity after intraperitoneal administration. The results show the importance of hydrogen bonding for activity. In the present study 5e, 5h, 5i, 6e, 6h, and 6i emerged as the most active molecules, showed significant anticonvulsant of activity.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-009-9277-6
  • Authors
    • Hemendra Pratap Singh, B N College of Pharmacy Udaipur Rajasthan India
    • S. N. Pandeya, Saroj Institute of Pharmacy Lucknow UP India
    • C. S. Chauhan, B N College of Pharmacy Udaipur Rajasthan India
    • Chandra Shekhar Sharma, B N College of Pharmacy Udaipur Rajasthan India

Source: Medicinal Chemistry Research | 25 Dec 2009 | 1:22 am CET

Synthesis, crystal structure, and anticancer properties of cyclic monocarbonyl analogs of curcumin

Abstract  A series of novel indan-2-one and dibenzylidenepiperidin-4-one compounds were synthesized and screened for anticancer activities. The compounds are symmetrical and they have conjugated double bonds. They closely resemble the curcumin analogs which are found to possess anticancer properties. The structure of the compounds was confirmed by single crystal study and wherever the compound is a powder, the structures were confirmed by spectral data (IR, NMR, and Mass).

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-009-9284-7
  • Authors
    • Natesan Sundarmurthy Karthikeyan, VIT University Chemistry Division, School of Advanced Sciences Vellore 632 014 India
    • Kulathu Iyer Sathiyanarayanan, VIT University Chemistry Division, School of Advanced Sciences Vellore 632 014 India
    • Paduthapillai Gopal Aravindan, VIT University Physics Division, School of Advanced Sciences Vellore 632 014 India
    • P. Giridharan, Piramal Life Sciences Ltd. Mumbai 400 063 India

Source: Medicinal Chemistry Research | 25 Dec 2009 | 1:22 am CET

Synthesis, characterization, and anti-inflammatory activities of rare earth metal complexes of luteolin

Abstract  Twelve as yet, unreported complexes of luteolin were synthesized with various rare earth ions through refluxing in ethanol. The characterization of these complexes by elemental analysis, infrared spectra, and differential scanning calorimeter demonstrated that luteolin coordinated the various rare earth ions in a similar manner. Experiments designed to study the anti-inflammatory activities of these rare earth-luteolin complexes indicated that they had a significant inhibitory effect on xylene-induced ear edema in mice. Five complexes containing La3+, Ho3+, Yb3+, Lu3+, and Y3+ were equally effective as luteolin and dexamethasone (DXM). However, their inhibitory effects on carrageenan-induced paw edema in mice, although significant, were weaker than that of either luteolin alone or DXM.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-009-9289-2
  • Authors
    • Jingfen Li, Huzhou Teachers’ College Department of Life Science 313000 Huzhou China
    • Lisheng Wang, Guangxi University College of Chemistry and Chemical Engineering 530004 Nanning China
    • Haiqiang Bai, Guangxi University College of Chemistry and Chemical Engineering 530004 Nanning China
    • Bin Yang, Guangxi University College of Chemistry and Chemical Engineering 530004 Nanning China
    • Hua Yang, Guangxi University College of Chemistry and Chemical Engineering 530004 Nanning China

Source: Medicinal Chemistry Research | 25 Dec 2009 | 1:22 am CET

Microwave irradiation synthesis of novel ramose chitosan-based-5-fluorouracil and research on its in vitro release

Abstract  In order to construct a controlled release system of drugs and to reduce toxic side effects of 5-fluorouracil (5-FU), the novel ramose chitosan-based-5-fluorouracil (CSFU) was synthesized by a two-step method. First, ramose N,N-dicarboxyethyl chitosan (CECS) was efficiently synthesized from chitosan (CS) through microwave irradiation under mild alkaline media. Second, under the catalysis of EDC/NHS and using 5-Fu as a model drug, 1,3-bis(hydroxymethyl)-5-fluorouracil (HMFU) was successfully linked to the ramose CECS. CSFU was characterized by IR spectrum, Raman Spectrum, and UV spectrum. The influence of microwave irradiation time on degree of substitution (DS) of CECS was studied. The content of 5-FU in CSFU and its in vitro release capability in phosphate buffer solution (PBS) were determined by UV spectrum. Results showed the drug loading (DL) was 10.6% and its zero-order release time could sustain 42 h almost without burst release, which indicated its promising application as a potential prodrug in cancer treatment.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-009-9291-8
  • Authors
    • He-Ping Li, Changsha University of Science and Technology College of Chemical and Biologic Engineering Changsha 410004 China
    • Zhou-dong Wang, Changsha University of Science and Technology College of Chemical and Biologic Engineering Changsha 410004 China
    • Tao Yu, Changsha University of Science and Technology College of Chemical and Biologic Engineering Changsha 410004 China

Source: Medicinal Chemistry Research | 24 Dec 2009 | 8:48 pm CET

Effect of transforming growth factor beta 1 (TGF-beta 1) on nitric oxide production and lipid peroxidation in oral mucosal wound healing

Abstract  Wound healing is a highly orchestrated process including complex and coordinated interactions involving peptide growth factors of which transforming growth factor-beta (TGF-beta) is one of the most important modulators. Exogenous TGF-beta treatment has been shown to accelerate wound healing in normal and impaired animal models. Nitric oxide (NO) also plays a key role in wound healing. The objective of this study is to examine the effects of exogenous TGF-beta 1 treatment on NO and lipid peroxidation levels in the process of oral wound healing on different days. In this study, we used 5-month-old New Zealand albino male rabbits. After a standard surgical incision in the diestema region, the rabbits were divided into controls and TGF-beta 1 implanted groups. NO levels and malondialdeyhde (MDA) levels which are indicators of lipid peroxidation were determined by spectrophotometry. In the TGF-beta 1 implanted groups, both NO and MDA levels significantly increased only on the third day after wounding when compared to control groups. We found decreased MDA levels parallel to NO levels on the fifth day after wounding. These findings suggest that TGF-beta 1 affects mucosal wound healing by altering NO production on different days of wounding. TGF-beta 1 may regulate NO production by its dual effect in as both an activator and inhibitor an in oral mucosal healing.

  • Content Type Journal Article
  • Category Original Research
  • DOI 10.1007/s00044-009-9276-7
  • Authors
    • Şule Coşkun, Gazi University Biology Department, Science and Arts Faculty 06500 Beşevler, Ankara Turkey
    • Emine Gülçeri Güleç Peker, Gazi University Biology Department, Science and Arts Faculty 06500 Beşevler, Ankara Turkey
    • Barbaros Balabanlı, Gazi University Biology Department, Science and Arts Faculty 06500 Beşevler, Ankara Turkey
    • Seyhan Ahıska, Ankara University Biology Department, Science Faculty 06500 Tandoğan, Ankara Turkey
    • Füsun Acartürk, Gazi University Department of Pharmaceutical Technology, Faculty of Pharmacy 06500 Etiler, Ankara Turkey

Source: Medicinal Chemistry Research | 24 Dec 2009 | 8:48 pm CET

Through the “Gatekeeper Door”: Exploiting the Active Kinase Conformation

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 14 Dec 2009 | 8:27 pm CET

Recent Advances in the Discovery of Competitive Protein Tyrosine Phosphatase 1B Inhibitors for the Treatment of Diabetes, Obesity, and Cancer

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 10 Dec 2009 | 3:09 pm CET

Selective p38α Inhibitors Clinically Evaluated for the Treatment of Chronic Inflammatory Disorders

Journal of Medicinal Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

Source: Journal of Medicinal Chemistry: Latest Articles (ACS Publications) | 1 Dec 2009 | 3:47 pm CET




 


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