Sangeetha Sathyanarayan, K. Sadasivan Pillai, Mythily Udhayakumar, Samu Subramaniam
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Sangeetha Sathyanarayan1*, K. Sadasivan Pillai2, Mythily Udhayakumar3, Samu Subramaniam4
1Assistant Professor, PG and Research Department of Biochemistry, Dwaraka Doss Goverdhan Doss Vaishnav College, Affiliated to University of Madras Chennai, Tamilnadu.
2Deputy Managing Director, Frontier Lifeline Pvt. Ltd, Chennai, Tamilnadu.
3Research Scholar, Department of Biochemistry, Regenix Super Speciality Laboratories, Affiliated to University of Madras, Chennai, Tamilnadu, India.
4Lab Director, Department of Biochemistry, Regenix Super Speciality Laboratories, Chennai, Tamilnadu, India.
Volume - 15,
Issue - 2,
Year - 2022
Objective: 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. Materials and methods: 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 (a-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. Results: 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). Conclusion: The polyherbal powder containing the lead compounds can be used for the treatment of diabetes mellitus.
Cite this article:
Sangeetha Sathyanarayan, K. Sadasivan Pillai, Mythily Udhayakumar, Samu Subramaniam. Molecular Docking Analysis of Compounds from Polyherbal Powder Against the Proteins Involved in Diabetes Mellitus. Research Journal of Pharmacy and Technology. 2022; 15(2):859-2. doi: 10.52711/0974-360X.2022.00143
Sangeetha Sathyanarayan, K. Sadasivan Pillai, Mythily Udhayakumar, Samu Subramaniam. Molecular Docking Analysis of Compounds from Polyherbal Powder Against the Proteins Involved in Diabetes Mellitus. Research Journal of Pharmacy and Technology. 2022; 15(2):859-2. doi: 10.52711/0974-360X.2022.00143 Available on: https://www.rjptonline.org/AbstractView.aspx?PID=2022-15-2-63
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