Abstract

REVIEW ON: AN APPROACH OF COMPUTER AIDED DRUG DESIGNING FOR TARGETED DRUG DISCOVERY SYSTEM

Adhirath Mahendra Gole*, Khemutai Shedame, Shreyash Gugliya and Neha Chavat

ABSTRACT

Over the last few decades, computer-aided drug design has emerged as a powerful technique playing a crucial role in the development of new drug molecules. Structure-based drug design and ligand-based drug design are two methods commonly used in computer-aided drug design. In this article, we discuss the theory behind both methods, as well as their successful applications and limitations. To accomplish this, we reviewed structure based and ligand based virtual screening proc-esses. Molecular dynamics simulation, which has become one of the most influential tool for prediction of the conformation of small molecules and changes in their conformation within the biological target, has also been taken into account. Finally, we discuss the princi- ples and concepts of molecular docking, pharmacophores and other methods used in computer-aided drug design.

Keywords: Information, figures no, History, Objectives of Computer Aided Drug Desing, Objectives of cadd Are as follows, Types of Drug Desing, Conclusion, References,