Discovery of a new cyclooxygenase-2 lead compound through 3-D database searching and combinatorial chemistry

Using a combination of computational and combinatorial chemistry methodologies, a phenothiazine compound was discovered that is a selective inhibitor of cyclooxygenase-2 and serves as a lead compound for a potentially novel series of anti-inflammatory compounds. Using a combination of computational...

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Bibliographic Details
Published in:Bioorganic & medicinal chemistry letters 1998-03, Vol.8 (5), p.529-534
Main Authors: Stewart, Kent D., Loren, Stefan, Frey, Lisa, Otis, Ellen, Klinghofer, Vered, Hulkower, Keren I.
Format: Article
Language:English
Subjects:
Binding Sites
Biological and medical sciences
Bones, joints and connective tissue. Antiinflammatory agents
Cyclooxygenase 2
Database Management Systems
Isoenzymes - chemistry
Medical sciences
Pharmacology. Drug treatments
Prostaglandin-Endoperoxide Synthases - chemistry
Protein Conformation
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Summary:Using a combination of computational and combinatorial chemistry methodologies, a phenothiazine compound was discovered that is a selective inhibitor of cyclooxygenase-2 and serves as a lead compound for a potentially novel series of anti-inflammatory compounds. Using a combination of computational and combinatorial chemistry methodologies, a phenothiazine compound was discovered that is a selective inhibitor of cyclooxygenase-2.
ISSN:0960-894X
1464-3405
DOI:10.1016/S0960-894X(98)00068-7