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Abstract

Review on the use of Molecular Docking as the First Line Tool in Drug Discovery and Development

Author(s): R. N. Sahoo, S. Pattanaik, G. Pattnaik, S. Mallick and R. Mohapatra*
Department of Pharmaceutics, School of Pharmaceutical Sciences, Siksha ‘O’ Anusandhan (Deemed to be University), Bhubaneswar, Odisha 751003, 1Department of Pharmacy, School of Pharmacy and Life Sciences, Centurion University of Technology and Management, Bhubaneswar, Odisha 752050, India

Correspondence Address:
R. Mohapatra, Department of Pharmaceutics, School of Pharmaceutical Sciences, Siksha ‘O’ Anusandhan (Deemed to be University), Bhubaneswar, Odisha 751003, India, E-mail: [email protected]


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.

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Citations : 53647

Indian Journal of Pharmaceutical Sciences received 53647 citations as per google scholar report