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

K D Stewart; S Loren; L Frey; E Otis; V Klinghofer; K I Hulkower

doi:10.1016/s0960-894x(98)00068-7

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

Bioorg Med Chem Lett. 1998 Mar 3;8(5):529-34. doi: 10.1016/s0960-894x(98)00068-7.

Authors

K D Stewart¹, S Loren, L Frey, E Otis, V Klinghofer, K I Hulkower

Affiliation

¹ Department of Advanced Technologa, Abbott Laboratories, Abbott Park, IL 60064, USA.

PMID: 9871612
DOI: 10.1016/s0960-894x(98)00068-7

Abstract

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.

MeSH terms

Binding Sites
Cyclooxygenase 2
Database Management Systems*
Isoenzymes / chemistry*
Prostaglandin-Endoperoxide Synthases / chemistry*
Protein Conformation

Substances

Isoenzymes
Cyclooxygenase 2
Prostaglandin-Endoperoxide Synthases