July 17, 2025

“Elucidating The Mechanism Of Syzygium Cumini Against Alzheimer’s Disease Using Network Pharmacology, Molecular Docking, And Experimental Validation”

PKPriyanka KamariaKLE University UKUttam KumarNational Dairy Research Institute ANAparajita NeogiJSS Academy of Higher Education and Research

Key Points

Syzygium cumini significantly targets two key proteins, ESR1 and HSP90AA1, in the treatment of Alzheimer's disease.
The study identified eight active ingredients from syzygium cumini, with (-)-Globulol showing a binding score of -7.6 to ESR1.
Analysis utilized network pharmacology and molecular docking, linking active compounds to 261 gene targets in alzheimer's disease.
The extract from syzygium cumini seeds demonstrated notable cholinesterase inhibition and antioxidant activity in vitro.

Abstract

SyzygiumCumini(SC) has established efficacy in diabetes management and has shown potential in Alzheimer's disease (AD) treatment. Despite this, the precise pharmacological mechanisms underlying its therapeutic effects in AD remain unclear. Present study aims to investigate the pharmacological mechanisms of SyzygiumCumini in treating Alzheimer's disease using network pharmacology and molecular docking analysis. Bioactive compounds from SC were extracted from the IMPPAT 2.0 and KNApSAcK databases. Rigorous screening based on drug likeness, bioavailability scores, and toxicity parameters identified eight promising candidates. Swiss target prediction and the STITCH database were utilized to predict 500 targets for the eight compounds. Genes associated with AD were extracted from Gene Cards and OMIM databases, leading to the identification of 261 common gene targets through Venn diagram analysis. GO and KEGG pathway enrichment analyses were conducted, and a protein-protein interaction (PPI) network was constructed. Hub genes were identified based on degree centrality using Cytoscape and the CytoHubba plugin. The study revealed that SC treatment for AD primarily targets two key proteins, ESR1 and HSP90AA1, utilizing eight active ingredients: (-)-Globulol, BETA-OCIMENE, Epi-Beta-Bisabolol, Ascorbic Acid, Citric Acid, Nicotinic Acid, Riboflavin, and Thiamine. Docking studies highlighted the high binding affinity of (-)-Globulol and Riboflavin to ESR1 and HSP90AA1, with binding scores of -7.6 and -7.8, respectively.This research provides insights into the pharmacological mechanisms of SyzygiumCuminiin treating Alzheimer's disease, identifying key proteins and active ingredients. To validate these findings, an ethanolic extract of S. cumini seeds was prepared and subjected to cholinesterase inhibition and antioxidant assays. The extract demonstrated significant in vitro activity, supporting the predicted neuroprotective potential of its constituents.

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