title: Discovery of a new cyclooxygenase-2 lead compound through 3-D database searching and combinatorial chemistry.
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.
authors.affiliation: Department of Advanced Technologa, Abbott Laboratories, Abbott Park, IL 60064, USA.
authors.forename: K D
authors.initials: KD
authors.lastname: Stewart
authors.forename: S
authors.initials: S
authors.lastname: Loren
authors.forename: L
authors.initials: L
authors.lastname: Frey
authors.forename: E
authors.initials: E
authors.lastname: Otis
authors.forename: V
authors.initials: V
authors.lastname: Klinghofer
authors.forename: K I
authors.initials: KI
authors.lastname: Hulkower
mesh_terms: D001665:Binding Sites; D051546:Cyclooxygenase 2; D003628:Database Management Systems; D007527:Isoenzymes / Q000737:chemistry*; D011451:Prostaglandin-Endoperoxide Synthases / Q000737:chemistry*; D011487:Protein Conformation
chemical_list: D007527:Isoenzymes; D051546:Cyclooxygenase 2; D011451:Prostaglandin-Endoperoxide Synthases