Molecular Docking Analysis of Epigallocatechin 3- Gallate [EGCG] on Fatty Acids and Carnitine Transporters Family

Abstract

EGCG is the main catechin present in green tea. Fatty acids can be categorized as saturated or unsaturated depending on the hydrocarbon chain and terminal carboxyl group they contain, typically with an even number of carbons. EGCG has attracted considerable interest because of its several health benefits, such as its anti-inflammatory, antioxidant, and anticancer characteristics. Yet, the precise molecular targets and mechanisms of action are not fully understood. Exploring the potential interaction of EGCG with fatty acids and carnitine transporters, which play a vital role in lipid metabolism and energy production, could provide insights into its physiological effects. Analysis of molecular docking between EGCG and fatty acid and carnitine transporters, and their interactions. A contact and binding occur between the fatty acid transporters (FABP) and VLCAD and CPTII. EGCG was subjected to molecular docking simulations with active sites of transporter families such as FABP, CPT2, and VLCAD. The docking analysis showed that EGCG has favourable binding interactions with the target transporters, involving important hydrogen bonding and hydrophobic interactions. EGCG showed a strong ability to bind to the active sites of FABP and CPT2, indicating its potential to influence their functions.