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@article{183268,
        author = {Dr.S.Swetha and J.Anitha and M.Rekharani},
        title = {Applying Molecular Docking to Pesticides: A Computational Leap in Pest Control},
        journal = {International Journal of Innovative Research in Technology},
        year = {2025},
        volume = {12},
        number = {3},
        pages = {1141-1147},
        issn = {2349-6002},
        url = {https://ijirt.org/article?manuscript=183268},
        abstract = {The increasing demand for sustainable and precise pest control strategies has prompted the exploration of advanced computational techniques in agrochemical research. Molecular docking, a method traditionally used in drug discovery, is now being applied to pesticide development to enhance efficacy, reduce environmental impact, and mitigate pest resistance. This approach involves simulating the interaction between pesticide candidates and target proteins essential to pest survival, enabling the identification and optimization of compounds with high binding affinity and specificity. Molecular docking facilitates target identification, virtual screening, toxicity prediction, and resistance management, offering a cost-effective and efficient alternative to conventional pesticide development. Despite limitations such as static receptor assumptions and the need for experimental validation, the integration of molecular docking with molecular dynamics, machine learning, and omics data is advancing the design of next-generation pesticides. This review highlights the principles, applications, challenges, and future potential of molecular docking in creating safer and more targeted pest control solutions.},
        keywords = {Molecular docking, Pesticides},
        month = {August},
        }