overview of Drug Design Based on Structure

Registration ID: IJNRD_302905

Published ID: IJNRD2412265

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Tanvi Singh, Dr. Swaroop J. Chatterjee, Abhishek Maurya

Keywords: Drug design; Molecular docking; DDBS Drug Design Based on Structure, virtual screening, scoring function

Drug design based on structure is a new powerful approach in modern drug discovery, which uses three-dimensional structures of biological targets to design and optimize the therapeutic compounds. This methodology involves computational and experimental methods to analyze the interaction of potential drugs with their target macromolecules, such as proteins or nucleic acids. Advances in X-ray crystallography, nuclear magnetic resonance (NMR), and cryo-electron microscopy have greatly improved the resolution of target structures, which has enabled the identification of binding sites and critical molecular interactions. DDBS includes two major strategies: ligand-based and target-based approaches. These strategies allow for the rational design of molecules with enhanced affinity, selectivity, and pharmacokinetic properties. DDBS integrates computational tools like molecular docking, molecular dynamics simulations, and free energy calculations into the drug discovery process to accelerate the speed and reduce the cost of conducting experiments. It has proved instrumental in the discovery of many FDA-approved drugs, giving it a bright chance in solving complex diseases and medical needs.

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Tanvi Singh, Dr. Swaroop J. Chatterjee, & Abhishek Maurya (December-2024). overview of Drug Design Based on Structure . INTERNATIONAL JOURNAL OF NOVEL RESEARCH AND DEVELOPMENT, 9(12), c521-c528. https://ijnrd.org/papers/IJNRD2412265.pdf

Volume 9 Issue 12, December-2024

Pages : c521-c528

Paper Reg. ID: IJNRD_302905

Published Paper Id: IJNRD2412265

Research Area: Pharmacy All

Author Type: Indian Author

Country: Jaunpur, uttar Pradesh, India

Published Paper PDF: https://ijnrd.org/papers/IJNRD2412265.pdf

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