Page 39 - GPD-2-3

Gene & Protein in Disease

ORIGINAL RESEARCH ARTICLE
Analysis of multi-disease targeting effect

of phytochemicals by AMPK stimulation–
diabetes: A computational approach

1
2
Richa Goyal *, Manoj Kumar , and Muhammad Anwar Mallick 3
1 Department of Biotechnology, Vinoba Bhave University, Hazaribagh, Jharkhand, India
2 Department of Zoology, Vinoba Bhave University, Hazaribagh, Jharkhand, India
3 Department of Botany/ Biotechnology, Vinoba Bhave University, Hazaribagh, Jharkhand, India

Abstract

Diabetes is a silent killer and a metabolic syndrome characterized by hyperglycemia
that has been exponentially increasing in recent years. There is a need to develop
therapeutic agents to control hyperglycemia and its secondary complications as well
as protect and revive beta cells in diabetic patients. The target for first-line diabetes
treatment is the adenosine monophosphate protein kinase (AMPK), which participates
in cellular energy metabolism through phosphorylation of metabolic enzymes and
transcription regulators. This study examined the drug-related properties as well as
*Corresponding author: lead preparation of Catharanthus roseus alkaloids and testing molecular interaction
Richa Goyal at the AMPK targets to confirm their anti-diabetic effect. A control drug metformin
(richagoyalaiims@gmail.com)
and a library of 85 molecules of C. roseus alkaloids were crossed with the ADMET
Citation: Goyal R, Kumar M, test, followed by the investigation of molecular interaction tested on AMPK1 and
Mallick MA, 2023, An analysis
of multi-disease targeting AMPK2 targets through an in silico docking process. Vindolinine (CID: 24148538),
effect of phytochemicals by vindoline (CID: 425978), (+)-vindorosine (CID: 261578), Cr-1 (CID: 5315746), and Cr-2
AMPK stimulation – Diabetes: (CID: 59908094) had passed the ADMET test. Molecular interaction of the tested
A computational approach. Gene
Protein Dis, 2(3): 0927. C. roseus alkaloids on AMPK1 and AMPK2 targets had potential energy that varied
https://doi.org/10.36922/gpd.0927 from −7.4 to −5.3 kcal/mol, whereas binding energies of −4.0 kcal/mol for AMPK1-
Received: May 8, 2023 metformin interaction and −4.2 kcal/mol for AMPK2-metformin interaction were
Accepted: August 21, 2023 observed. The tested C. roseus alkaloids were shown to be more potent activators of
Published Online: September 12, AMPK than the control drug. All five biomolecules of C. roseus acted as modulators
2023 that have the potential to stimulate AMPK, reduce glucose production, and increase
Copyright: © 2023 Author(s). glucose utilization in hepatocytes. In addition, they diminished insulin resistance and
This is an Open Access article secondary complications of diabetes by inhibiting acetyl-CoA carboxylase, regulating
distributed under the terms of the
Creative Commons Attribution cholesterol levels and macrophage, and reviving beta cells in Type 2 diabetes. These
License, permitting distribution, results provided the foundation for developing new multi-disease-targeting drugs
and reproduction in any medium, that can treat diabetes, obesity, cardiovascular disease, cancer, and other diseases by
provided the original work is
properly cited. the stimulation of AMPK1 and AMPK2 targets.
Publisher’s Note: AccScience
Publishing remains neutral with Keywords: Diabetes; Adenosine monophosphate protein kinase; Catharanthus roseus
regard to jurisdictional claims in
published maps and institutional alkaloids; Metformin; Docking study
affiliations.

Volume 2 Issue 3 (2023) 1 https://doi.org/10.36922/gpd.0927