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Abstract 1,4-Dihydropyridine (DHP) is an important class of calcium antagonist. It inhibits the influx of extracellular Ca+2 through L-type voltage dependent calcium channels. Comparative Molecular Field Analysis (CoMFA) was applied to a set of 1,4-dihydropyridines to build a 3D-QSAR model which has been utilized for the design and prediction of novel 1,4-dihydropyridines. A good predictive model was obtained as indicated by higher correlation coefficient (R2>0.9), higher Fischer’s statistical value (F value=41.09) and low standard error of estimate (SEE=0.936). Cross validated correlation coefficient (R2 CV) of 0.542 is good enough to at least rank the activity of proposed new compounds. |