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@article{170962,
        author = {Snehal D. Kadbhane and Sakshi R. Saswade and Vaishnavi M. Jadhav and Kimaya A. Kevate and Prajyoti J. Mandhare and Vishal B. Kadu},
        title = {The role of quantum Mechanics in revolutionizing drug discovery},
        journal = {International Journal of Innovative Research in Technology},
        year = {2024},
        volume = {11},
        number = {7},
        pages = {2710-2719},
        issn = {2349-6002},
        url = {https://ijirt.org/article?manuscript=170962},
        abstract = {Quantum mechanics has significantly transformed drug discovery, introducing novel computational approaches to unravel the molecular intricacies of biological systems. By accurately predicting the electronic structures and properties of molecules, quantum mechanics enables a deeper understanding of molecular interactions, reaction mechanisms, and binding affinities, which are critical for designing effective drugs. Advanced methods, such as Density Functional Theory (DFT) and quantum molecular dynamics, have facilitated precise modeling of molecular behavior at the atomic level. This accuracy enhances the identification of potential drug candidates, reducing the reliance on time-consuming trial-and-error methods.The integration of quantum mechanics with artificial intelligence and machine learning has further accelerated the drug discovery process. Quantum algorithms, like the Variational Quantum Eigensolver (VQE), promise breakthroughs by solving complex chemical problems that are computationally intensive for classical systems. These advancements are especially beneficial in structure-based drug design, where understanding protein-ligand interactions at the quantum level leads to the rational development of therapeutics for diseases like cancer, neurodegenerative disorders, and infectious diseases.Moreover, quantum mechanics underpins the development of quantum chemistry software and computational platforms that simulate biomolecular systems in unprecedented detail. This technology enables the exploration of novel druggable targets and fosters the creation of personalized medicines by analyzing patient-specific molecular profiles. As quantum computing technology matures, its application in drug discovery is expected to revolutionize pharmaceutical research, drastically reducing development timelines and costs while delivering safer, more effective therapies.},
        keywords = {Density Functional Theory (DFT), pharmaceutical research, protein-ligand interactions, quantum mechanics, structure-based drug design},
        month = {December},
        }