20.500.12556/RUL-169968 Identification of potential human targets for epigallocatechin gallate through a novel protein binding site screening approach Context Epigallocatechin-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. Methods An 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. epigallocatechin-3-gallate ProBiS-Dock algorithm ProBiS-Dock database inverse molecular docking target protein prediction biokemija rak epigalokatehin galat true false true Angleški jezik Slovenski jezik Članek v reviji 2025-06-27 14:00:16 2025-06-27 14:00:18 2026-06-08 13:50:23 0000-00-00 00:00:00 2025 0 0 12 str. iss. 7, art. 189 Vol. 31 2025 0000-00-00 Zaloznikova Objavljeno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 577 0948-5023 10.1007/s00894-025-06410-y 239493635 RAZ_Hirci_Jernej_2025.pdf RAZ_Hirci_Jernej_2025.pdf 1 48766354F8BC168677CA21F7F0FA0444 32127a14494687677682d8d3e8d160b6bb089c7dc685d423c64e10dbb2f37fca 0e916573-534e-11f0-b232-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=211839 https://link.springer.com/article/10.1007/s00894-025-06410-y 1 6c280440-534c-11f0-b232-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=211838 Biotehniška fakulteta Fakulteta za farmacijo 0 0 0