Review on the use of Molecular Docking as the First Line Tool in Drug Discovery and Development
Rasmita Sahoo, Sandesh Kumar Pattanaik, G. Pattnaik, Sritapa Basu Mallick, R. Mohapatra
Abstract
Molecular docking has now become a novel approach for drug discovery in recent years. Computer-aided drug design is an area that is rapidly growing and has seen many successes. Many big pharmaceutical industries, academic resources and research personnel are using the tools for new drug development. In this review, we have discussed briefly different molecular docking methods, software used in the molecular docking process and their application in drug discovery. Molecular docking is a configuration-based virtual tryout in which computer-generated three dimensional structures of small molecules are given the freedom to interact with the target structure in assorted positions, orientation, and conformations.