QSAR study of quinolinediones with inhibitory activity of endothelium-dependent vasorelaxation by CoMSIA.
The 3D-QSAR study of quinolinediones which showed potent inhibitory effect on the acetylcholine induced vasorelaxation of rat aorta with the endothelium was conducted by CoMSIA. The statistical result, cross-validated q(2) (0.741) and r(2) (0.960) values, gave reliability to the prediction of inhibitory activity of this series.
Choo
Hea-Young Park
HY
School of Pharmacy, Ewha Womans University, Seoul 120-750, South Korea. hypark@mm.ewha.ac.kr
Choi
Suyoung
S
Ryu
Chung-Kyu
CK
Kim
Hwa-Jung
HJ
Lee
In Young
IY
Paeb
Ae Nim
AN
Koh
Hun Yeong
HY
D000818:Animals; D004730:Endothelium, Vascular / Q000187:drug effects* / Q000502:physiology; D021281:Quantitative Structure-Activity Relationship; D011804:Quinolines / Q000737:chemistry* / Q000494:pharmacology*; D051381:Rats; D014664:Vasodilation / Q000187:drug effects* / Q000502:physiology
D011804:Quinolines