Computational Approaches for Drug Design and Discovery Process.

Abstract

Drug discovery is a critical issue in the pharmaceutical research as it is a very cost effective and time consuming process to produce new drug candidate. So, there is number of computational advances which have significant impact in the field of computer aided drug design over the last several years. These advances can be grouped into three basic areas: conformational modeling (of small molecules, macromolecules and their complexes), property modeling (of physical, biological and chemical properties) and molecular design (to optimize physical, biological or chemical properties). Hence, computational approaches have given a tremendous opportunity to pharmaceutical companies to identify new potential drug targets which in turn affect the success and time of performing clinical trials for discovering new drug targets.