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Abstract
ContextEpigallocatechin-3-gallate (EGCG), a compound found in green tea, is known for its anticancer properties, although its specific protein targets remain largely undefined. In this study, we identified EGCG targets across the human proteome using a novel protein binding site screening approach. Among the 20 most likely predicted targets, six proteins—KRAS, FXa, MMP1, PLA2G2A, Hb, and CDK2—had been experimentally validated in previous studies. Fourteen additional proteins, including five kinases, were newly predicted as potential targets, all of which are implicated in cancer development and may mediate EGCG’s anticancer effects. Enrichment analysis revealed KEGG pathways associated with cancer, with KRAS and PIM1 appearing as key nodes. These findings, which align with previous experimental research, offer new insights into the molecular mechanisms of EGCG and its potential role in modulating cancer-related pathways.MethodsAn approach was devised to screen EGCG with 36,532 human protein binding sites using the ProBiS-Dock algorithm and the ProBiS-Dock database. Network and enrichment analyses with Cytoscape and StringApp identified protein interactions and KEGG pathways, revealing potential anticancer mechanisms of EGCG.Graphical
Highlights
Green tea, derived from Camellia sinensis, is the second most consumed beverage in the world after water [1]
Using the ProBiS-Dock algorithm [23] for molecular docking, we conducted a comprehensive search across the entire Protein Data Bank (PDB) [25] to identify human protein targets of EGCG
Six of the 20 most likely predicted human protein targets were experimentally confirmed to interact with EGCG, namely KRAS, FXa, MMP1, PLA2G2A, Hb, and Cyclin-dependent kinase 2 (CDK2)
Summary
Green tea, derived from Camellia sinensis, is the second most consumed beverage in the world after water [1]. It is rich in polyphenolic catechins, which make up 30–40% of its dry weight [2]. Animal studies have demonstrated that EGCG can inhibit tumor growth, reduce tumor size and invasiveness, suppress angiogenesis, and induce apoptosis in cancer cells, suggesting potential therapeutic benefits in humans [8]. One notable mechanism of EGCG’s anticancer action is its ability to arrest the cell cycle of cancer cells at the G1 phase [9]. EGCG induces apoptosis through both extrinsic and intrinsic pathways [10, 11], inhibits anti-apoptotic protein expression, and promotes pro-apoptotic protein expression in cancer cells [12]
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