A review of approaches in computer-aided drug design in drug discovery

Sachin S Padole *, Alpana J Asnani, Dinesh R Chaple and Soumya G Katre

Department Priyadarshini, J. L. College of Pharmacy, Nagpur-440016, Maharashtra, India.
 
Review Article
GSC Biological and Pharmaceutical Sciences, 2022, 19(02), 075–083.
Article DOI: 10.30574/gscbps.2022.19.2.0161
Publication history: 
Received on 20 March 2022; revised on 11 May 2022; accepted on 13 May 2022
 
Abstract: 
The process of discovering and developing a new medication is often seen as a lengthy and expensive endeavors. As a result, computer-aided drug design methods are now frequently utilized to improve the efficiency of the drug discovery and development process. Various CADD approaches are regarded as potential techniques based on their needs; nevertheless, structure-based drug design and ligand-based drug design approaches are well-known as highly efficient and powerful strategies in drug discovery and development. Both of these approaches may be used in conjunction with molecular docking to conduct virtual screening for the purpose of identifying and optimizing leads. In recent years, computational tools have become increasingly popular in the pharmaceutical industry and academic fields as a means of improving the efficiency and effectiveness of the drug discovery and development pipeline. In this post, we'll go over computational methods, which are a creative way of discovering new leads and assisting in drug discovery and development research.
 
Keywords: 
Computer Aided Drug Design (CADD); Structure-Based Drug Design; Ligand-Based Drug Design; Virtual Screening and Molecular Docking
 
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