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Volume 15
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10.3390/ph15040414
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Article

Integrating Network Pharmacology and Molecular Docking Approaches to Decipher the Multi-Target Pharmacological Mechanism of Abrus precatorius L. Acting on Diabetes

by
Fatima Noor
1,
Abdur Rehman
1,
Usman Ali Ashfaq
1,
Muhammad Hamzah Saleem
2,
Mohammad K. Okla
3,
Abdulrahman Al-Hashimi
3,
Hamada AbdElgawad
4 and
Sidra Aslam
1,*
1
Department of Bioinformatics and Biotechnology, Government College University Faisalabad, Faisalabad 38000, Pakistan
2
College of Plant Science and Technology, Huazhong Agricultural University, Wuhan 430070, China
3
Department of Botany and Microbiology, College of Science, King Saud University, Riyadh 11451, Saudi Arabia
4
Integrated Molecular Plant Physiology Research, Department of Biology, University of Antwerp, 2000 Antwerpen, Belgium
*
Author to whom correspondence should be addressed.
Pharmaceuticals 2022, 15(4), 414; https://doi.org/10.3390/ph15040414
Submission received: 15 February 2022 / Revised: 7 March 2022 / Accepted: 14 March 2022 / Published: 29 March 2022
(This article belongs to the Special Issue Multitarget Drug Discovery and Pharmacology)
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Abstract

Type 2 diabetes mellitus (T2DM) is a notable health care load that imposes a serious impact on the quality of life of patients. The small amount of reported data and multiple spectra of pathophysiological mechanisms of T2DM make it a challenging task and serious economic burden in health care management. Abrus precatorius L. is a slender, perennial, deciduous, and woody twining plant used in various regions of Asia to treat a variety of ailments, including diabetes mellitus. Various in vitro studies revealed the therapeutic significance of A. precatorius against diabetes. However, the exact molecular mechanism remains unclarified. In the present study, a network pharmacology technique was employed to uncover the active ingredients, their potential targets, and signaling pathways in A. precatorius for the treatment of T2DM. In the framework of this study, we explored the active ingredient–target–pathway network and figured out that abrectorin, abrusin, abrisapogenol J, sophoradiol, cholanoic acid, precatorine, and cycloartenol decisively contributed to the development of T2DM by affecting AKT1, MAPK3, TNFalpha, and MAPK1 genes. Later, molecular docking was employed to validate the successful activity of the active compounds against potential targets. Lastly, we conclude that four highly active constituents, namely, abrusin, abrisapogenol J, precatorine, and cycloartenol, help in improving the body’s sensitivity to insulin and regulate the expression of AKT1, MAPK3, TNFalpha, and MAPK1, which may act as potential therapeutic targets of T2DM. Integrated network pharmacology and docking analysis revealed that A. precatorius exerted a promising preventive effect on T2DM by acting on diabetes-associated signaling pathways. This provides a basis to understand the mechanism of the anti-diabetes activity of A. precatorius.
Keywords: active ingredients; Abrus precatorius; bioinformatics; network pharmacology; molecular docking active ingredients; Abrus precatorius; bioinformatics; network pharmacology; molecular docking

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MDPI and ACS Style

Noor, F.; Rehman, A.; Ashfaq, U.A.; Saleem, M.H.; Okla, M.K.; Al-Hashimi, A.; AbdElgawad, H.; Aslam, S. Integrating Network Pharmacology and Molecular Docking Approaches to Decipher the Multi-Target Pharmacological Mechanism of Abrus precatorius L. Acting on Diabetes. Pharmaceuticals 2022, 15, 414. https://doi.org/10.3390/ph15040414

AMA Style

Noor F, Rehman A, Ashfaq UA, Saleem MH, Okla MK, Al-Hashimi A, AbdElgawad H, Aslam S. Integrating Network Pharmacology and Molecular Docking Approaches to Decipher the Multi-Target Pharmacological Mechanism of Abrus precatorius L. Acting on Diabetes. Pharmaceuticals. 2022; 15(4):414. https://doi.org/10.3390/ph15040414

Chicago/Turabian Style

Noor, Fatima, Abdur Rehman, Usman Ali Ashfaq, Muhammad Hamzah Saleem, Mohammad K. Okla, Abdulrahman Al-Hashimi, Hamada AbdElgawad, and Sidra Aslam. 2022. "Integrating Network Pharmacology and Molecular Docking Approaches to Decipher the Multi-Target Pharmacological Mechanism of Abrus precatorius L. Acting on Diabetes" Pharmaceuticals 15, no. 4: 414. https://doi.org/10.3390/ph15040414

APA Style

Noor, F., Rehman, A., Ashfaq, U. A., Saleem, M. H., Okla, M. K., Al-Hashimi, A., AbdElgawad, H., & Aslam, S. (2022). Integrating Network Pharmacology and Molecular Docking Approaches to Decipher the Multi-Target Pharmacological Mechanism of Abrus precatorius L. Acting on Diabetes. Pharmaceuticals, 15(4), 414. https://doi.org/10.3390/ph15040414

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