Author(s):
Soham Pawar, Chaitrali Kulkarni, Puja Gadade, Supriya Pujari, Surajkumar Kakade, S.H. Rohane, V.K. Redasani
Email(s):
sohamsp105@gmail.com
DOI:
10.52711/2231-5691.2023.00053 
Address:
Soham Pawar*, Chaitrali Kulkarni, Puja Gadade, Supriya Pujari, Surajkumar Kakade, S.H. Rohane, V.K. Redasani
Department of Pharmacy, Yashoda Technical Campus, Satara, 415003.
*Corresponding Author
Published In:
Volume - 13,
Issue - 4,
Year - 2023
ABSTRACT:
Molecular docking is a powerful and effective tool in modern era of computer aided drug design. The purpose of ligand-protein docking is to predict the predominant binding mode(s) of a ligand with a protein of known three-dimensional structure. Successful docking methods search high-dimensional spaces effectively and use a scoring function that correctly ranks candidate dockings. Docking can be used to perform virtual screening of wide variety of compounds, rank the results, and propose structural hypotheses of how the ligands inhibit the target, which is invaluable in lead optimization. This review represents the overview of advanced molecular docking using various software. It analyses the various approaches regarding molecular docking like the use of machine learning algorithms in molecular docking, different physicochemical aspects related to ligand-protein complex. These recent improvements in modern technology affect the whole area of healthcare and welfare science.
Cite this article:
Soham Pawar, Chaitrali Kulkarni, Puja Gadade, Supriya Pujari, Surajkumar Kakade, S.H. Rohane, V.K. Redasani. Molecular Docking using different Tools. Asian Journal of Pharmaceutical Research. 2023; 13(4):292-6. doi: 10.52711/2231-5691.2023.00053
Cite(Electronic):
Soham Pawar, Chaitrali Kulkarni, Puja Gadade, Supriya Pujari, Surajkumar Kakade, S.H. Rohane, V.K. Redasani. Molecular Docking using different Tools. Asian Journal of Pharmaceutical Research. 2023; 13(4):292-6. doi: 10.52711/2231-5691.2023.00053 Available on: https://asianjpr.com/AbstractView.aspx?PID=2023-13-4-14
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