REVIEW ON INTRODUCTION TO MOLECULAR DOCKING SOFTWARE TECHNIQUE IN MEDICINAL CHEMISTRY

  • Kharb Manju Department Of Pharmacy, Suresh Gyan Vihar University, INDIA
  • Jat R. K Department Of Pharmacy, Suresh Gyan Vihar University, INDIA
  • Parjapati Gunjan Department Of Pharmacy, Suresh Gyan Vihar University, INDIA
  • Gupta Anju Department Of Pharmacy, Suresh Gyan Vihar University, INDIA

Abstract

Molecular docking is a study of receptor of protein fit together. The problem is like solving a 3 dimensional puzzle. For example, the action of a harmful protein in human body may be prohibited by finding an inhibitor, which binds to that particular protein. Molecular modeling encompasses all theoretical methods and computational techniques used to model or mimic the behaviour of molecules. Molecular docking software’s are mainly used in drug development. The most important application of docking software is virtual screening. In virtual screening the most interesting and promising molecules are selected from an existing database for further research. This review has basic Information about molecular modeling, molecular docking, basic concepts of docking, docking approaches, and mechanics of docking, docking software’s for further development in this field.


Keywords

Molecular docking, Molecular modelling, Virtual screening, Ligand, Computational chemistry.

Published
Feb 28, 2017
How to Cite
MANJU, Kharb et al. REVIEW ON INTRODUCTION TO MOLECULAR DOCKING SOFTWARE TECHNIQUE IN MEDICINAL CHEMISTRY. International Journal of Drug Research and Technology, [S.l.], v. 2, n. 2, p. 8, feb. 2017. ISSN 2277-1506. Available at: <http://ijdrt.com/index.php/drug-research-and-technology/article/view/review-on-introduction-to-molecular-docking-software-technique-in-medicinal-chemistry>. Date accessed: 15 sep. 2019.
Section
Research Article
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