Review of bioinformatic tools used in Computer Aided Drug Design (CADD)
Department of Pharmaceutical Chemistry, SRM College of Pharmacy SRMIST, Chennai, Tamil Nādu, India.
Review Article
World Journal of Advanced Research and Reviews, 2022, 14(02), 453–465
Article DOI: 10.30574/wjarr.2022.14.2.0394
Publication history:
Received on 29 March 2022; revised on 04 May 2022; accepted on 06 May 2022
Abstract:
Drug discovery is а time consuming рrосess of finding out a new drug molecule. The process takes many years to complete and needs human resource. These is difficulties have been overcome by introducing computer programmes in drug discovery (CADD) which includes target identification, hit identification, and molecular modification of а lead compound to optimize desired effects and minimize side effects, based on the knowledge of their biological targets. Molecular modelling is the process of designing a molecule with a computer-based collection of programmes (in-silico design) for deriving, representing, and manipulating the structures and reactions of molecules. Numerous Software tools, online data bases and computer programmes are used in the field of CADD in which some relevant, user friendly and precise ones are reviewed in this article. Software is available for personal use and for commercial purposes. All these tools are highly useful in the field of drug design and discovery. The article will be helpful for selecting a tool for computer aided drug design.
Keywords:
CADD; Drug Discovery; Software; Autodock
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