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2DQSAR of Novel 4-Substituted 1, 4 Dihydropyridines -3, 5-Dicarboxylate as Potential Antihypertensive Agent | Abstract
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Journal of Computational Methods in Molecular Design

Abstract

2DQSAR of Novel 4-Substituted 1, 4 Dihydropyridines -3, 5-Dicarboxylate as Potential Antihypertensive Agent

Author(s): Prasanna A. Datar and Pratibha B. Auti

Calcium channel blockers are widely used for the treatment of various cardiac disorders. The existing calcium channel blockers have several short comings; hence there is a need to develop better drugs with better therapeutic profile. A number of 1, 4- dihydropyridines like nifedipine or amlodipine are extensively used in therapy of cardio vascular disorders. Looking into importance of calcium channel blockers, a series of 1, 4-dihydropyridines was selected and different models based on multiple linear regression (MLR), was generated to find out correlation between the physicochemical parameters and the biological activity. Multiple linear regression (MLR) coupled with stepwise variable selection led to a statistically significant model as with respect to r2 (coefficient of determination 0.9101) and q2 (cross- validation 0.640).