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 inhibito...

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Veröffentlicht in:	Bioorganic & medicinal chemistry 2003-05, Vol.11 (9), p.2019-2023
Hauptverfasser:	Choo, Hea-Young Park, Choi, Suyoung, Ryu, Chung-Kyu, Kim, Hwa-Jung, Lee, In Young, Pae b, Ae Nim, Koh, Hun Yeong
Format:	Artikel
Sprache:	eng
Schlagworte:	Animals Biological and medical sciences Cardiovascular system Endothelium, Vascular - drug effects Endothelium, Vascular - physiology Medical sciences Miscellaneous Pharmacology. Drug treatments Quantitative Structure-Activity Relationship Quinolines - chemistry Quinolines - pharmacology Rats Vasodilation - drug effects Vasodilation - physiology
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Zusammenfassung:	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. The 3D QSAR study of quinolinediones which showed potent inhibitory effect on the acetylcholine induced vasorelaxation was conducted by CoMSIA.
ISSN:	0968-0896 1464-3391
DOI:	10.1016/S0968-0896(03)00045-2