Research Journal of Pharmacy and Technology

SCOPUS
  • Year: 2022
  • Volume: 15
  • Issue: 2

Molecular docking analysis of compounds from polyherbal powder against the proteins involved in diabetes mellitus

  • Author:
  • Sangeetha Sathyanarayan1,*, K. Sadasivan Pillai2, Udhayakumar Mythily3, Samu Subramaniam4
  • Total Page Count: 4
  • Page Number: 859 to 862

1Assistant Professor, PG and Research Department of Biochemistry, Dwaraka Doss Goverdhan Doss Vaishnav College, Affiliated to University of MadrasChennai, Tamil Nadu

2Deputy Managing Director, Frontier Lifeline Pvt. Ltd, Chennai, Tamil Nadu

3Research Scholar, Department of Biochemistry, Regenix Super Speciality Laboratories, Affiliated to University of Madras, Chennai, Tamil Nadu, India

4Lab Director, Department of Biochemistry, Regenix Super Speciality Laboratories, Chennai, Tamil Nadu, India

*Corresponding Author E-mail

Online published on 13 June, 2022.

Abstract

The objective of the present work is to perfom in silico docking analysis against the molecular targets involved in diabetes mellitus using active compounds from Polyherbal powder.

Polyherbal powder is prepared using Gymnema sylvestre, Ocimum sanctum and Azadirachta indica. Three compounds from the polyherbal powder (identified using HR-LCMS) were used for the docking against the targets fa-glucosidase, a amylase, peroxisome proliferator activated receptor gamma). Docking was performed using Autodock 4.2 software. Pymol was used for the visualization of the docking result files.

Binding energy of Usnic acid (−4.25 kcal/mol for 1PRG, -6.69 kcal/mol for 3WY1, -5.72 kcal/mol for 4GQQ) was low as that of standard drug Metformin (−5.07 kcal/mol for 1PRG, -6.3 kcal/mol for 3WY1, -4.02 kcal/mol for 4GQQ).

The polyherbal powder containing the lead compounds can be used for the treatment of diabetes mellitus.

Keywords

Diabetes mellitus, Gymnema sylvestre, Ocimum sanctum, Azadirchta indica, Molecular docking