MOLECULAR DOCKING: CONCEPT AND RECENT ADVANCES
BISWARANJAN RAY *
Gayatri College of Pharmacy, SBP, Odisha, India.
AMIYAKANTA MISHRA
College of Pharmaceutical Science, Puri, Odisha, India.
HIMANSU RANJAN PALATASINGH
College of Pharmaceutical Science, Puri, Odisha, India.
SHAYEQUE TAYAB
College of Pharmaceutical Science, Puri, Odisha, India.
RAGHUNATHPRASAD TRIPATHY
College of Pharmaceutical Science, Puri, Odisha, India.
*Author to whom correspondence should be addressed.
Abstract
Molecular docking is a computational method used to established the interaction of two molecules generating a binding model. In many drug discovery applications, docking is done between a small molecule and a macromolecule for example, protein-ligand docking. The simulation of the docking process as such is a much more complicated process in this approach, the protein and the ligand are separated by some physical distance, and the ligand finds its position into the protein’s active site after a certain number of “moves” in its conformational space. The present Review focuses Concept, Strategy, Types and other Aspects with Recent Advances of Molecular Docking.
Keywords: Docking, computational, binding, ligands, silico