Document Detail


Virtual screening to successfully identify novel janus kinase 3 inhibitors: a sequential focused screening approach.
MedLine Citation:
PMID:  18844338     Owner:  NLM     Status:  MEDLINE    
Abstract/OtherAbstract:
In an effort to identify novel Janus kinase 3 inhibitors, a sequential focused screening approach was adopted to search our in-house chemical database. By biologically testing only 79 selected compounds, we successfully identified 19 compounds showing IC 50 < 20 microM, with four of them in the nanomolar range. Particularly, a 3,5-disubstituted pyrazolo[4,3- d]pyrimidine scaffold emerged as a promising candidate for further lead optimization. With the advantages of efficiency and flexibility, this approach may be utilized to identify leads for other therapeutic targets.
Authors:
Xin Chen; Lawrence J Wilson; Ravi Malaviya; Rochelle L Argentieri; Shyh-Ming Yang
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Publication Detail:
Type:  Journal Article     Date:  2008-10-10
Journal Detail:
Title:  Journal of medicinal chemistry     Volume:  51     ISSN:  1520-4804     ISO Abbreviation:  J. Med. Chem.     Publication Date:  2008 Nov 
Date Detail:
Created Date:  2008-11-07     Completed Date:  2008-11-28     Revised Date:  2009-11-19    
Medline Journal Info:
Nlm Unique ID:  9716531     Medline TA:  J Med Chem     Country:  United States    
Other Details:
Languages:  eng     Pagination:  7015-9     Citation Subset:  IM    
Affiliation:
Computer Assisted Drug Discovery, High-throughput Chemistry, and Inflammation Therapeutics, Research and Early Development, Johnson & Johnson Pharmaceutical Research and Development, LLC, Raritan, New Jersey 08869, USA. xin69chen@yahoo.com
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MeSH Terms
Descriptor/Qualifier:
Adenosine Triphosphate / chemistry,  metabolism
Binding Sites
Computational Biology
Drug Evaluation, Preclinical / methods*
Inhibitory Concentration 50
Janus Kinase 3 / antagonists & inhibitors*,  chemistry,  metabolism
Molecular Structure
Protein Kinase Inhibitors / chemical synthesis,  chemistry*,  pharmacology*
Structure-Activity Relationship
Chemical
Reg. No./Substance:
0/Protein Kinase Inhibitors; 56-65-5/Adenosine Triphosphate; EC 2.7.10.1/Janus Kinase 3

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine


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