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@article{185787,
        author = {Saritha Karnati and M.Navya Sree},
        title = {Rational drug design},
        journal = {International Journal of Innovative Research in Technology},
        year = {2025},
        volume = {12},
        number = {5},
        pages = {2874-2878},
        issn = {2349-6002},
        url = {https://ijirt.org/article?manuscript=185787},
        abstract = {Currently, combination of classical QSAR and other computational techniques at three-dimensional level is of greatest interest and generally used in the process of modern drug discovery and design. A computational technique called QSAR is used in rational drug design to determine mathematical relationship between the chemical structure of a molecule and its biological activity or function. These models assess molecular characteristic that affect pharmacological potency and selectivity allowing for the predication and optimization of novel drug candidates. The predication power and scope of QSAR have been greatly increased by development in machine learning, large data, computing power making it a virtual component of contemporary drug design. Together these methods enhance drug discovery by reducing time. Cost and experiment uncertainly while improving the precision and success rate of developing safe and effective therapeutic agent. The aim of this review is to give an overview on the rational drug design approaches with a case study on drug discovery for Influenza A virus, cancer and Antifungal. A significant amount of data has been generated and collected because of advancements in computational resources and the ability to solve numerical problems. Finding intelligible patterns in these massive silica databases is extremely difficult, though. All things considered, this paper emphasizes the advantages and potential of creating drug discovery tools.},
        keywords = {QSAR, Rational drug design, structure activity relationship, 2D-QSAR, 3D-QSAR, molecular descriptors, pharmacophore modelling.},
        month = {October},
        }