Ecology, Environment and Conservation Paper

Vol 28, Jan Suppl. Issue, 2022; Page No.(127-132)


Sahil Ahuja, Pragya Deep, Shravani, Saranya Nair, Sneha Sambhyal, Deependra Mishra, Chetan Pandey, Preet Manchanda, Krishma, Akash Dee, Lamha Kumar, Parveen Gwalia, Ria Arora, Bhupender Singh, Shubham Attri, Deepika Kumari Singh, Areeba, Muskaan Gupta and


Molecular docking is a Molecular modelling technique that is used to predict the interaction between two molecules such as drugs, enzymes or proteins. It predicts the structure of the interacting molecules using computational modelling. The objective is to obtain plausible three-dimensional structures of the molecules under study. The candidates produced by docking are ranked by various methods to identify the most likely naturally occurring structure. This review encompasses the various types of docking models and the mechanism of docking, drug design types and available docking software.