title: CoMFA and CoMSIA 3D QSAR studies on pimarane cyclooxygenase-2 (COX-2) inhibitors.
abstract: Comparative molecular field analysis and comparative molecular similarity indices analysis were performed on twenty five analogues of pimarane COX-2 inhibitor to optimize their cyclooxygenase-2 (COX-2) selective anti-inflammatory activities.
authors.affiliation: College of Pharmacy, Seoul National University, Seoul 151-742, Korea.
authors.forename: Kwang-Ok
authors.initials: KO
authors.lastname: Lee
authors.forename: Hyun-Ju
authors.initials: HJ
authors.lastname: Park
authors.forename: Young-Ho
authors.initials: YH
authors.lastname: Kim
authors.forename: Seung-Yong
authors.initials: SY
authors.lastname: Seo
authors.forename: Yong-Sil
authors.initials: YS
authors.lastname: Lee
authors.forename: Sung-Hyun
authors.initials: SH
authors.lastname: Moon
authors.forename: Nam-Joong
authors.initials: NJ
authors.lastname: Kim
authors.forename: Nam-Song
authors.initials: NS
authors.lastname: Choi
authors.forename: Young-Ger
authors.initials: YG
authors.lastname: Suh
mesh_terms: D045784:Abietanes / Q000737:chemistry* / Q000494:pharmacology; D051546:Cyclooxygenase 2; D052246:Cyclooxygenase 2 Inhibitors; D016861:Cyclooxygenase Inhibitors / Q000737:chemistry* / Q000494:pharmacology; D007527:Isoenzymes / Q000037:antagonists & inhibitors* / Q000378:metabolism; D011451:Prostaglandin-Endoperoxide Synthases / Q000378:metabolism; D021281:Quantitative Structure-Activity Relationship
chemical_list: D045784:Abietanes; D052246:Cyclooxygenase 2 Inhibitors; D016861:Cyclooxygenase Inhibitors; D007527:Isoenzymes; D051546:Cyclooxygenase 2; D011451:Prostaglandin-Endoperoxide Synthases