IN SILICO EVALUATION OF THE ANTITUMOURAL INTERACTIONS BETWEEN HEPATOCELLULAR CARCINOMA AND TEA CATECHIN DERIVATIVES
ZEUGMA 16TH INTERNATIONAL CONGRESS ON SCIENTIFIC RESEARCH, Gaziantep, Turkey, 26 - 28 June 2026, pp.234-235, (Summary Text)
- Publication Type: Conference Paper / Summary Text
- City: Gaziantep
- Country: Turkey
- Page Numbers: pp.234-235
- Open Archive Collection: AVESIS Open Access Collection
- Recep Tayyip Erdoğan University Affiliated: Yes
Abstract
Abstract
Catechins represent a class of naturally occurring antioxidants that are present in high concentrations in tea (Camellia sinensis). These bioactive compounds are of significant interest in health research owing to their capacity to neutralize free radicals—reactive molecules implicated in cellular damage and the progression of chronic diseases. The principal catechin constituents identified in tea are Epicatechin (EC), Epigallocatechin (EGC), Epicatechin Gallate (ECG), and Epigallocatechin Gallate (EGCG). The present study was designed to investigate the potential antitumor interactions between hepatocellular carcinoma and tea-derived catechin compounds through the application of in silico molecular docking and molecular dynamics simulation approaches. Specifically, the binding affinity scores of tea catechin derivatives against the membrane-associated proteins TLR4 (Toll-like Receptor 4), RAGE (Receptor for Advanced Glycation End Products), and CD44 (a cancer stem cell marker) expressed on the HepG2 liver cancer cell line were systematically assessed. The in silico findings revealed that, among the evaluated receptor targets, CD44 served as the predominant binding target for the catechin derivatives, followed by TLR4 and RAGE, respectively. With respect to binding affinity, ECG and EGCG demonstrated the strongest interactions with CD44, TLR4, and RAGE, yielding binding scores in the range of −8.15 to −9.50 kcal/mol, while EGC and EC displayed comparatively weaker affinities toward the target proteins, with scores ranging from −6.79 to −7.65 kcal/mol. Overall, our computational in silico predictions indicate that tea and its catechin-derived bioactive constituents—particularly ECG and EGCG—warrant further validation through comprehensive in vivo and in vitro experimental studies to substantiate their antitumor potential against hepatocellular carcinoma and to explore their prospective applications as functional ingredients in the promotion of human health and well-being.
Keywords: In silico, Tea, Camellia sinensis, Catechin, Hepatocellular carcinoma
*This study was supported by Recep Tayyip Erdoğan University Scientific Research Projects Unit Tea Specialization Project Unit [Project no: ÇİP-2025-2189, In silico and In vitro Evaluation of The Interactions Between Hepatocellular Carcinoma and Tea Catechin Derivatives].