Applications of QSAR study in drug design of tubulin binding inhibitors

Journal of biomolecular structure & dynamics(2023)

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摘要
New drug discovery is recognized as a complicated, costly, time-consuming, and difficult process. Computer-aided drug discovery has developed as a potent and promising method for faster, cheaper, and more effective drug creation. Recently, the rapid rise of computational methods for drug discovery, including anticancer medicines, had a substantial and exceptional impact on anticancer drug design, as well as providing beneficial insights into the field of cancer therapy. In this paper, we discussed the quantitative structure-activity relationship (QSAR), which is a significant in-silico tool in rational drug design. The QSAR method is used to optimize the existing leads to improve their biological activities, and physicochemical properties and to predict the biological activities of untested and sometimes unavailable compounds, so QSAR is a significant method in drug designing. This article is a comprehensive review of various QSAR studies conducted which help to create new and potent inhibitors for targeting tubulin, a crucial target in cancer treatment. It particularly focuses on studies that provide structural insights into the compounds targeting tubulin. It should prioritize continually researching specific scaffolds, with a focus on important attachment regions, to gather more powerful molecular data and enhance models. This will lead to a better understanding of drug interactions and the development of improved cancer-targeting inhibitors for tubulin.Communicated by Ramaswamy H. Sarma
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关键词
QSAR, tubulin, cancer, drug designing
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