CoMFA and CoMSIA 3D QSAR studies on pimarane cyclooxygenase-2 (COX-2) inhibitors.
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.
Lee
Kwang-Ok
KO
College of Pharmacy, Seoul National University, Seoul 151-742, Korea.
Park
Hyun-Ju
HJ
Kim
Young-Ho
YH
Seo
Seung-Yong
SY
Lee
Yong-Sil
YS
Moon
Sung-Hyun
SH
Kim
Nam-Joong
NJ
Choi
Nam-Song
NS
Suh
Young-Ger
YG
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
D045784:Abietanes; D052246:Cyclooxygenase 2 Inhibitors; D016861:Cyclooxygenase Inhibitors; D007527:Isoenzymes; D051546:Cyclooxygenase 2; D011451:Prostaglandin-Endoperoxide Synthases