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- W3204782456 endingPage "319" @default.
- W3204782456 startingPage "295" @default.
- W3204782456 abstract "The computational methods are extensively used in the drug discovery research. The molecular modeling approach is widely employed to understand the mechanism of protein-inhibitor complex to provide more insights in the drug discovery process. The covalent inhibitor provides the plausible mechanism with the protein target which leads to identify promising drug candidates with increased potency and safety when compared to the non-covalent inhibitors. The substantial amount of computational approaches has been developed to understand the covalent interactions between protein-inhibitor complex. Still, it requires effective algorithm to overcome the challenges in the drug discovery research. In this review, we emphasize on the following themes, namely, (i) covalent inhibitors against the biological targets, (ii) applications of physical chemistry concepts in the covalent drug design, (iii) importance of the covalent target, (iv) recent framework on covalent docking, (v) S N 2 reactions in the computational approaches, and (vi) other crucial aspects in the covalent docking. The objective of this review is to highlight the components that are essential for the proper assessment and development of the novel covalent inhibitors. Further, the covalent approaches and their applications highlighted in this review will enhance the future efforts in drug designing." @default.
- W3204782456 created "2021-10-11" @default.
- W3204782456 creator A5001035619 @default.
- W3204782456 creator A5085695043 @default.
- W3204782456 creator A5089570908 @default.
- W3204782456 date "2021-10-01" @default.
- W3204782456 modified "2023-10-12" @default.
- W3204782456 title "Prospects of Covalent Approaches in Drug Discovery: An Overview" @default.
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