yarmoluk
Joined: 27 Feb 2008
Posts: 22
Location: Ukraine
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 Posted: Thu Mar 06, 2008 2:22 pm Post subject: p38 MAP Kinase Alpha inhibitors |
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Otava presents the new p38 MAP Kinase Alpha focused library with 2163 compounds.
This library has been created as a part of a joint project aimed at design of a large set of receptor-based sharp-focused libraries. In the framework of this project, Life Chemicals provides its Collection of 300 000 compounds and subsequent chemical optimization. Otava provides its In-house Stock Collection (100 000 compounds) and also is responsible for molecular modeling tasks.
The p38 MAP kinase inhibitors are efficacious in several disease models, including inflammation, arthritis and other joint diseases, septic shock, and myocardial injury. In all cases, p38 activation in key cell types correlated with disease initiation and progression. Treatment with p38 MAP kinase inhibitors attenuated both p38 activation and disease severity. Structurally diverse p38 MAP kinase inhibitors have been tested extensively in preclinical studies.
Design of the focused libraries consists in Lipinsky/Veber rules filtering and flexible docking in a protein target of certain enzyme family. Further computational analysis for the presence of critical receptor-ligand hydrogen bond(s) and docking score refinement makes our focused libraries good starting point for drug discovery purposes.
The detection of H-bonds between ligand and key pP38 MAP Kinase Alpha residue (Met109) was used for the library preparation.
About Otava
Otava supplies Receptor Based and Target Focused compound libraries, custom synthesis, fine chemicals, ProHit compounds, protein kinase inhibitors, combinatorial chemistry templates and building blocks, fluorescent cyanine dyes, Noteworthy Compounds. They offer design and development of fluorescent probes, kits and reagents.
Company contact information:
OTAVA
P.O. Box 88
Kyiv 187, 03187
Ukraine
E-mails:
OTAVA – North American Division
15 Dundonald St., Suite 1902
Toronto, ON M4Y 1K4
Canada
Tel.: 1-416-305-9979
Fax: 1-866-881-9921 (Toll-free in US & Canada)
E-mail: 
http://www.otavachemicals.com |
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