CADD: AN ABSOLUTE REPLACEMENT FOR TRADITIONAL DRUG DISCOVERY
AbstractCADD is a powerful method to discover possible therapeutic compounds in conventional drug discovery. It has now surpassed all other high-throughput screening options, commonly used in drug discovery and development. The creation and optimization of several clinically utilized medications have significantly advanced thanks to CADD, or computer-aided drug design. Computer-aided drug design can take one of two methods: (1) Ligand-based (Analogue based) or (2) Structure-based (Target Based). All of these methods rely on MM force fields to represent atomic-level interactions and define molecular shapes, energy, and motion. The two most common approaches to drug design are structure-based drug design and ligand-based drug design. We can learn about drug-receptor interactions from it. Structure-based drug design includes the discovery of binding sites as well as docking and stocking, virtual screening, compound selection, and lead optimization. Quantitative structure-activity relationships (QSAR), pharmacologic modeling and other processes are aspects of the structure-based drug design process. As can be seen, CADD assists in recognizing appropriate pharmacological properties and compatibility to get an advantage in pre-clinical trials.
Article Information
2
12-19
865 KB
925
English
IJPSR
Vaishali Pardeshi, Bhagyashree Pawar Gaikwad, Anuja Uday Vaidya, Khushal Madanlal Ghanchi *, Rohan Sunil Kengarkar and Tarun Singh Rajput
Abhinav Education Society College of Pharmacy, Narhe, Pune, Maharashtra, India.
khushalghanchi0987@gmail.com
25 May 2023
29 July 2023
21 November 2023
10.13040/IJPSR.0975-8232.15(1).12-19
01 January 2024
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