International Journal of Molecular and Cellular Medicine (IJMCM)
Cellular and Molecular Biology Research Center, Babol University of Medical Sciences
Sat, Dec 21, 2024
[Archive]
Volume 12, Issue 4 (Int J Mol Cell Med 2023)
Int J Mol Cell Med 2023, 12(4): 372-387 |
Back to browse issues page
Download citation:
BibTeX | RIS | EndNote | Medlars | ProCite | Reference Manager | RefWorks
Send citation to:
BibTeX | RIS | EndNote | Medlars | ProCite | Reference Manager | RefWorks
Send citation to:
Rani Sri Prakash S, Kamalnath S M, Antonisamy A J, Marimuthu S, Malayandi S. In Silico Molecular Docking of Phytochemicals for Type 2 Diabetes Mellitus Therapy: A Network Pharmacology Approach. Int J Mol Cell Med 2023; 12 (4) :372-387
URL: http://ijmcmed.org/article-1-2091-en.html
URL: http://ijmcmed.org/article-1-2091-en.html
Sooriyakala Rani Sri Prakash1 
, Sree Meenakshi Kamalnath1 , Arul Jayanthi Antonisamy 2, Sivasankari Marimuthu1 , Sankar Malayandi1
, Sree Meenakshi Kamalnath1 , Arul Jayanthi Antonisamy 2, Sivasankari Marimuthu1 , Sankar Malayandi1
1- Department of Biotechnology, Mepco Schlenk Engineering College (Autonomous), Sivakasi, Tamil Nadu, India.
2- Department of Biotechnology, Mepco Schlenk Engineering College (Autonomous), Sivakasi, Tamil Nadu, India. ,aruljayanthi@mepcoeng.ac.in
2- Department of Biotechnology, Mepco Schlenk Engineering College (Autonomous), Sivakasi, Tamil Nadu, India. ,
Abstract: (914 Views)
Identification of potential lead molecules in herbal medicines is crucial not only for validation but also for drug discovery. This study was focused on identifying the therapeutic mechanisms of 10 common herbs used to treat type 2 diabetes mellitus (T2DM) using network pharmacology and docking studies. Details pertaining to medicinal plants and their phytoconstituents were obtained from Indian Medicinal Plants, Phytochemistry, and Therapeutics and Dr. Duke’s database, respectively. MolSoft was used to assess their drug likeness. Prediction of protein targets for the screened phytochemicals and the list of target genes involved in T2DM were obtained using Swiss TargetPrediction and GeneCards respectively. STRING; Cytoscape; Database for Annotation, Visualization, and Integrated Discovery; and PyRx were used for network construction, network analysis, gene ontology analysis, and molecular docking, respectively. The protein targets MAPK1, AKT1, PI3K, and EGFR were identified to play a crucial role in the progression of T2DM. Furthermore, molecular docking indicated that nimbaflavone exhibited high binding affinities for MAPK1 (−8.7 kcal/mole) and PI3K (−9.6 kcal/mole), whereas rutin and 10-hydroxyaloin-B showed high binding affinities for AKT1 (−7.4 kcal/mole) and EGFR (−8.1 kcal/mole), respectively. The findings from this study suggest that flavonoids are the major phytoconstituents that display antidiabetic activity by interacting with key protein molecules related to the MAPK and PI3K-AKT signaling pathways, thereby aiding in the treatment of T2DM. The activation of these pathways alters Ras-GTPase activity and enhances the expression of GLUT4, a glucose transporter, resulting in the uptake of glucose from the bloodstream.
Type of Study: Original Article |
Subject:
Bioinformatic
Received: 2023/01/29 | Accepted: 2024/02/5 | Published: 2024/05/20
Received: 2023/01/29 | Accepted: 2024/02/5 | Published: 2024/05/20
Send email to the article author
| Rights and permissions | |
 |
This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License. |
