Quantitative structure activity relationship and drug design: A Review

Abstract

The goal of QSAR (Quantitative Structure Activity Relationships) studies to find a mathematical relationship between the Biological activity and descriptors related to the structure of the molecule. In recent years, constant increase in the performance of hardware and software transformed quantitative structure activity relationship (QSAR) widely used model for the prediction of many biological properties in the field of medicinal chemistry. In the most basic sense, drug design involves the design of molecules that are complementary in shape and charge to the bio-molecular target with which they interact and therefore will bind it. QSAR studies more useful to use descriptors derived mathematically from either the 2D or 3D molecular structure.