Abstract
In Silico Molecular Docking on Bioactive Compounds from Indian Medicinal Plants against Type 2 Diabetic Target Proteins: A Computational Approach
Department of Botany, Arignar Anna Government Arts College, Namakkal 637002, 1Department of Biotechnology, Mahendra Arts and Science College, Kalipatti, Tamil Nadu 637507, 2School of Chemical and Biotechnology, SASTRA Deemed University, Thanjavur, Tamil Nadu 613401, India
Correspondence Address:
V. K. Nathan, School of Chemical and Biotechnology, SASTRA Deemed University, Thanjavur, Tamil Nadu 613401, India, E-mail: vinodkumar@scbt.sastra.edu
Natural chemical compounds from medicinal plants used for the healing of diseases and disorders with fewer side effects, easy accessibility and economically cheap. The current study was aimed at finding novel drug like molecules as anti-diabetic compounds using in silico approach. Intermolecular interactions between target proteins and different antidiabetic compounds were observed. Five phytocompounds were selected from Plumbago zeylanica, Neolitsea cassia and Wrightia tinctoria and taken for molecular docking against human pancreatic alpha-amylase and human dipeptidyl peptidase IV using Autodock 4.2. Among the five phyto compounds, 6 urs-12-en-24-oic acid Plumbago zeylanica is the best compound for both the human pancreatic alpha-amylase and human dipeptidyl peptidase IV inhibition, as it possessed higher value in molecular dockings.
