Abstract

A REVIEW ON COMPUTATIONAL CHEMISTRY SOFTWARE FOR DRUG DESIGNING AND DISCOVERY

Denish Prajapati*, Miloni Brahmbhatt and Chintan Shah

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Abstract

It takes a multidisciplinary effort to create efficient and marketable drugs because the drug development process is so complex. Finding a chemical molecule that can geometrically and chemically fit into a particular cavity on a protein target is the goal of drug design. This chemical becomes a drug that people can use once it has successfully completed both animal testing and human clinical trials. The traditional approaches to drug development involve the random screening of compounds produced in labs or found in nature. This approach has issues with a lengthy design cycle and high expense. The drug development process has been effectively sped up by modern approaches, such as structure-based drug design (SBDD) and Ligandbased drug design (LBDD), with the aid of informatic technology and computational methodologies. A complete overview of the computational chemistry software for drug designing and discovery is discussed here. Along with the notable characteristics and uses of the softwares utilised in de novo drug development, special focus is placed on computational software for drug discovery.

Keywords: Drug discovery, Structure-based drug design, Ligand-based drug design, Computational software, de novo drug development.