DRUG DESIGN AS AN IMPORTANT APPROACH IN THE DRUG DISCOVERY: AN OVERVIEW

*Sarvesh Chandore, Dr. Nirmala Shinde, Rahul Shirole and Mahima Gore

ABSTRACT

Designing of drugs have major role in the drug discovery and development of bioactive compounds over last three decades. Novel software-based methods such as molecular modelling, structure-based drug design, structure-based virtual screening, ligand interaction and molecular dynamics are considered to be powerful tool for investigation of pharmacokinetic and pharmacodynamic properties of drug, and structural activity relationship between ligand and its target. Computational approaches such as docking confer interaction of small molecules with structural macromolecules and thereby hit identification and lead optimization. These methods are faster, and accurately provide valuable insights of experimental findings and mechanisms of action. In addition, appropriate implementation of these techniques could lead to a reduction in cost of drug designing and development. Currently in biomedicine sciences this software is exhibiting imperative role in the different phases of drug discovery. The review discusses working principle and successful applications of most commonly used software for drug designing and development. A non-systematic review of the current literature was undertaken to enumerate the various strategies employed in drug design to improve the success rates in the pharmaceutical research and development. The review covers the exploitation of genomics and proteomics, complementarity of target-based and phenotypic efficacy screening platforms, drug repurposing and repositioning, collaborative research, focusing on underserved therapeutic fields, outsourcing strategy and pharmaceutical modelling and artificial intelligence.

Keywords: DDDPlus, GastroPlus, MapCheck, Ligand interactions and molecular dynamic using Auto Dock, Schrodinger, GOLD, BioSuite, QSARPro, GeneSpring, Imaging software Scge-Pro, AMIDE, Discovery Studio Visualizer.