Article: A REVIEW ON RATIONAL DRUG DESIGN APPROACH: NOVEL TOOL FOR DRUG DISCOVERY

Article Category: Review articles

DOI: 10.7897/2277-4343.096165

Pages: 17-21

Author: Ashok Kumar and S. Parthasarathi *

Abstract: The pharmaceutical industry is under pressure in developing cost-effectivenew drug molecule from the previous knowledge and established Quantitative Structure-Activity Relationships (QSAR). This previous knowledge helps us to make it in a moreaffirmative and selective manner for pharmaceutical/biological target. The pathway of developing a new drug requires high-leveleffort to discover an effectiveand commercially feasible drug. The structure-baseddesign is one of the reliable and promising techniques used in drug designing. Structure-baseddesign refers specifically to find and complement the 3D structure of a target molecule (binding and/or active site) such as a receptor protein. In drug design, the main aim is to find out the three-dimensional structure of pharmacologically significant receptor-ligand complexes. The aim of this review is to give an overview on the rational drug design approaches with a case study on drug discovery for influenza A virus, HER2 Receptor, targeting dopamine D 3 receptor, purpose, andapplications of QSAR. In particular, improvements in computational resources and capacity to solve the numerical problems have led to the generation and collection of an enormous amount of data. However, great challenges are involved in discovering the understandable patterns from these huge in silicadatabase. Overall, this article highlights the benefits and promises of developing tools for drug discovery. 

Keyword: QSAR; Structure-based drug discovery; Dopamine D 3 receptor; High-throughput screening; Docking