World Journal of
Pharmaceutical and Life Sciences

AN OVERVIEW ON MOLECULAR DOCKING

Shine Sudev* and Shabeera Nasrin

ABSTRACT

Molecular docking has become an increasingly important tool for drug discovery. It has been widely employed as a rapid and inexpensive technology in both academic and industrial settings over the past decades. The molecular docking method explores the behavior of small molecules in the binding sites of target proteins. The goal of molecular docking is to predict three – dimensional structures of interest. With docking strategies, the druggability of compounds and their specificity against a particular target can be calculated for further lead optimization processes. Several important aspects of molecular docking in terms of its model, applications, different types of softwares used and some examples are briefly discussed in this article.

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