Computational Molecular Docking and X-ray Crystallographic Studies of Catechins in New Drug Design Strategies.

ABSTRACT: Epidemiological and laboratory studies have shown that green tea and green tea catechins exert beneficial effects on a variety of diseases, including cancer, metabolic syndrome, infectious diseases, and neurodegenerative diseases. In most cases, (-)-epigallocatechin gallate (EGCG) has been shown to play a central role in these effects by green tea. Catechins from other plant sources have also shown health benefits. Many studies have revealed that the binding of EGCG and other catechins to proteins is involved in its action mechanism. Computational docking analysis (CMDA) and X-ray crystallographic analysis (XCA) have provided detailed information on catechin-protein interactions. Several of these studies have revealed that the galloyl moiety anchors it to the cleft of proteins through inte

SUBMITTER: Nakano S 

PROVIDER: S-EPMC6222539 | biostudies-literature | 2018 Aug

REPOSITORIES: biostudies-literature