Abstract

INSILICO DOCKING STUDIES OF COMBINED MEDICINAL PLANTS IN COMPARISON OF THE STANDARD DRUG FOR TREATING KELOIDS

Maria Shirley J.*, Pranesh B. M., Santhosh K., Siva Subramani Bharathi K., Kavinaiya M. and Banupriya R.

Abstract

Molecular Docking is the computational modeling of the structure of complexes formed by two or more interacting molecules. Molecular docking is a key tool in structural molecular biology and computerassisted drug design. Docking itself only produces plausible candidate structures. The goal of molecular docking is the prediction of the three dimensional structures of interest. The state of the art of various computational aspects of molecular docking based virtual screening of database of small molecules is presented. The goal of ligand-protein docking is to predict the predominant binding mode of a ligand with a protein of known three-dimensional structure. This chapter discusses the background and theory of molecular docking software, as this investigation is to find out how the protein interacts with the combined test compound by comparing it with the standard drug using bio informatics software tools.

Keywords: Molecular docking, Ligand, Test Compound, Standard drug.