The Therapeutic Potential of Methanolic Leaf Extract of Syzygium cumini in Managing Type 2 Diabetes Mellitus based on Network Pharmacology Study

Abstract

Type 2 diabetes mellitus (T2DM) is a significant metabolic disorder affecting approximately 537 million people globally. Syzygium cumini (S. cumini) has been traditionally used in medicine due to its diverse pharmacological properties. Recognizing the multitarget and multipathway potential of herbal plants, this study employed network pharmacology to predict the target profiles and pharmacological mechanisms of S. cumini compounds. The methanolic leaf extract of S. cumini was analyzed using LC-HRMS, ADMET prediction, network pharmacology, and molecular docking. LC-HRMS analysis identified 42 compounds in the extract, 35 of which satisfied the Lipinski’s rule of 5. From the analysis, 150 common targets for S. cumini were identified, leading to the determination of 10 core targets: IL-6, TNF, ALB, AKT1, IL1B, STAT3, CTNNB1, PPARG, TLR4, and PTGS2. Molecular docking was then performed on the compounds targeting three best targets, i.e. IL-6, TNF, and ALB. Four compounds targeted IL-6, 4 compounds targeting TNF-α, and 1 compound targeting ALB. Notably, bergenin and FF-MAS had binding energy comparable to that of native ligands when bound to IL-6 and TNF-α, respectively. Interestingly, NP-012381 emerged as the only compound targeting the three targets (IL-6, TNF-α and ALB) simultaneously, and its binding energy was lower than that of native ligand of each target. The present study highlights the potential of Syzygium cumini in inhibiting T2DM.

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