Abstract

COMPUTER- AIDED DESIGN: MOLECULAR DOCKING

Seraj Ahemad*, Piyush Yadav, Manoj Yadav, Shashikant Maury and Asgar Shameem

ABSTRACT

Molecular docking software mainly used in drug development. Molecular Docking provides an array of valuable tools for drug design and analysis. Simple visualization of molecules and easy access to structural databases has become essential components on the desktop of the medicinal chemist. The most important application of molecular docking is virtual screening. Various docking programs were developed to visualize the three dimensional structure of the molecule and docking score can also be analyzed with the aid of different computational methods. This article has basic information on molecular docking, molecular modeling, types of docking, molecular docking models, basic requirements of molecular docking, molecular approach, applications, evaluation and software available for molecular docking.

Keywords: Introduction, Principles of Docking, Type of Docking, Mechanism of Molecular Docking , Types of Molecular Docking, Application.