Green tea and green tea supplements are thought to have many different health benefits. This includes the promotion of weight loss, cancer treatments, and in the prevention of cardiovascular disease. Weight loss is promoted due to the fact that green tea polyphenols such as epigallocatechin gallate (EGCG) bind to digestive enzymes. Polyphenolic compounds, such as EGCG, have been shown to metabolize during digestion into various degradation products. In this study, computational docking software will be used to determine the binding affinities of green tea polyphenols and their metabolites to enzymes of the small intestine including lipase, amylase, and trypsin. Docking calculations will be used to determine if the metabolites of these compounds are more or less likely to bind to enzymes of the small intestine. Results of this study will be used to develop a computational laboratory experiment that models the interactions of biologically relevant systems.

Determining the effects of metabolism on green tea polyphenols using computational methods

256th National Meeting (2018)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.