Computer-Aided Drug Designing – Modality of Diagnostic System
Shalini Ramesh, Sugumari Vallinayagam, Karthikeyan Rajendran, Sasireka Rajendran, Vinoth Rathinam, Sneka Ramesh · 2021
Computer-aided drug design (CADD) is a very significant and exciting process for current drug designing. It is a multidisciplinary approach where the drugs are designed and discovered to alleviate or even cure many diseases. The modern approach includes structure- or ligand-based drug design with the purpose of computing methods which enhances the drug discovery method in an effective way. CADDs depend on the level of configuration and other information accessible about the targets like protein, enzyme and the ligands. The main objective of the computer-aided drug designing (CADD) is to identify the structure of chemical compound that is able to insert to a specific binding region on a protein or ligand target both structurally and chemically. Molecular property diagnostic suite (MPDS) is a free source chemo-informatics portal, a web tool for drug identification and development platform. MPDS tools are planned for identification of an enormous disease that includes diabetes mellitus, tuberculosis, and metabolic disorder, and the main aim is to assess and approximate the drug-likeness of a target molecule. The generation of software with a simple process and computational tools to produce chemically constant compounds with alteration capability has been enhanced. These tools play a significant role in chemical information for drug development and makes drug discovery process more cost-efficient. A general idea of computer-aided drug designing and molecular property diagnostic suite tool for drug discovery is discussed here.