Volume : 12, Issue : 04, April – 2025
Title:
MODERN APPROACH TO COMPUTER AIDED DRUG DESIGNING
Authors :
Dr. Somesh Kumar Saxena*, Nageshwar Prasad Jaiswal, Dr. Shailesh Jain
Abstract :
Pharmaceutical Drug Discovery uses chemical biology and computing drug design for efficient identification and optimization of lead connections. Chemical biology is primarily involved in the education of target biological functions and the mechanisms of action of chemical modulators. Computer-aided drug design, on the other hand, uses targets (structured) or structural knowledge about well-known ligands with biological activity (ligand-based) to facilitate the determination of promising candidates. In the meantime, both pharmaceutical companies and academic research groups used a variety of virtual screening techniques to reduce costs and time to discover powerful drugs. Despite the rapid advances in these methods, continuous improvement of future measures for drug discovery is extremely important. The advantages of structure-based and ligand-based drug design demonstrate that its supplementary use and integration into experimental routines have a strong impact on rational drug design. This article outlines its applications in rational drug development integrated with current arithmetic drug design to support the progress of drug discovery.
KEYWORDS: Drug Discovery, Computer-aided drug design, Combinatorial Chemistry, high-through substitution (HTS), New Molecular entity (NME), Virtual screening.
Cite This Article:
Please cite this article in press Somesh Kumar Saxena et al., Modern Approach To Computer Aided Drug Designing., Indo Am. J. P. Sci, 2025; 12(04).
Number of Downloads : 10
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