Abstract

ROLE OF COMPUTER AIDED DRUG DESIGN IN NEW DRUG DEVELOPMENT

Jayshree Kokat*, Rajesh Mokate, Bharat Jadhav and Sharda Giram

.

Abstract

The process of developing a new drug is typically regarded as extremely complicated and time- and resource-intensive. As a result, computer-aided drug design methods are now widely used to improve the drug discovery and development process. Between all of these structure-based drug design and ligand-based drug design approaches, which are known to be very effective and powerful techniques in drug discovery and development, various CADD approaches are evaluated as promising techniques. Together with molecular docking, these two approaches can be utilized in virtual screening for lead identification and optimization. Computational tools are now widely used in pharmaceutical industries and research fields to boost drug discovery and development pipeline efficiency. This article provides an overview of computational approaches, which are creative methods for discovering novel leads and assisting drug development research.

Keywords: Computer Aided Drug Design, Molecular Docking, Pharmacophore, Drug Discovery.