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International Journal of Zoology and Applied Biosciences Research Article
Molecular docking techniques for the study of biological interactions
Vijayanarayanan A, Nirmala B, Lavanya R, Sibi S and Palthangam Ganesan
Year : 2025 | Pages: 241-245
Received on: 15/09/2025
Revised on: 20/10/2025
Accepted on: 23/10/2025
Published on: 25/11/2025
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Vijayanarayanan A, Nirmala B, Lavanya R, Sibi S and Palthangam Ganesan( 2025).
Molecular docking techniques for the study of biological interactions
. International Journal of Zoology and Applied Biosciences, 10( 6), 241-245.
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Abstract
Molecular docking has emerged as a pivotal computational approach for predicting and analyzing the interactions between biological macromolecules and their ligands. As drug discovery increasingly incorporates in-silico methodologies, docking serves as a cost-effective and efficient strategy for identifying potential bioactive compounds, characterizing binding affinities, and visualizing molecular recognition processes. This study provides a comprehensive exploration of molecular docking techniques, including rigid and flexible docking, scoring functions, search algorithms, and validation methods. Emphasis is placed on evaluating protein–ligand, protein protein, and nucleic acid interactions through widely used docking tools and computational pipelines. The findings highlight the significance of docking in lead identification, structure-activity relationship studies, and interaction prediction within complex biological systems. The review further discusses the challenges associated with conformational flexibility, scoring inaccuracies, and receptor dynamics, while outlining future directions for improving docking accuracy and integration with machine learning approaches. Overall, this work underscores the essential role of molecular docking in understanding biological interactions and advancing modern drug discovery.
Keywords
Airborne microplastics, Human health, Inhalation exposure, Environmental pollution, Toxicity.
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© The Author(s) 2025. This article is published by International Journal of Zoology and Applied Biosciences under the terms of the Creative Commons Attribution 4.0 International License (creativecommons.org), which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
