Abstract

AN OVERVIEW OF THE COMPUTER AIDED DRUG DESIGNING

Shainda Laeeq*, Anup K. Sirbaiya, Hefazat H. Siddiqui, Syed Mehdi Hasan Zaidi

ABSTRACT

This article is an overview on the computer aided drug designing,which can predict experimental results with reasonable accuracy andreduced time, cost and equipment. It identifies the new compound oroptimize the lead compound that show significant inhibitory activityagainst a biological receptor. It provides specicifity of drug on thetarget whether it is ligand based or structure based screening.Computational molecular modeling methods attempt to predict theseinteractions and thus the binding affinities and conformation ofprotein-ligand complexes.

Keywords: Computational, (CADD), chemicals.