QSAR study of quinolinediones with inhibitory activity of endothelium-dependent vasorelaxation by CoMSIA

Abstract

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. © 2003 Elsevier Science Ltd. All rights reserved.