Molecular Docking Analysis of Few Compounds from Curcuma Longa and Hedychium Coronarium.

ABSTRACT

Molecular Docking is safe and easy to use tool helps in investigating, interpreting, explaining and identification of molecular properties using three-dimensional structures. Molecular docking is used to predict the structure of the intermolecular complex formed between two or more molecules. When a structure is available for the target, computer-based screening using molecular docking was considered. In the present study, all nine ligands tested against peptide deformylase, New Delhi Metallo-beta-Lactamase-1 and dehydrosqualene synthase resulted in curcumin I as the best compound which showed greater binding affinity towards the active site amino acids of each protein. Curcuma longa and Hedychium coronarium were carried out to test their effective rate of inhibitions against selective protein targets from E. coli, K. pneumonia and S. aureus respectively.