School of Food and Nutritional Sciences, Shizuoka University, Yada, Shizuoka 422-8526, Japan.
Biological Science Research, Kao Corporation, Ichikai-machi, Haga-gun, Tochigi 321-3497, Japan.
Molecules. 2018 Aug 13;23(8):2020. doi: 10.3390/molecules23082020.
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 interactions with its hydroxyl groups, explaining the higher activity of galloylated catechins such as EGCG and epicatechin gallate than non-galloylated catechins. In this paper, we review the results of CMDA and XCA of EGCG and other plant catechins to understand catechin-protein interactions with the expectation of developing new drugs with health-promoting properties.
流行病学和实验室研究表明，绿茶和绿茶儿茶素对多种疾病（包括癌症、代谢综合征、传染病和神经退行性疾病）具有有益作用。在大多数情况下，绿茶中的（-）-表没食子儿茶素没食子酸酯（EGCG）被证明在这些作用中起核心作用。来自其他植物来源的儿茶素也表现出了对健康的益处。许多研究表明，EGCG 和其他儿茶素与蛋白质的结合与其作用机制有关。计算对接分析（CMDA）和 X 射线晶体学分析（XCA）为儿茶素-蛋白质相互作用提供了详细信息。这些研究中的几项表明，没食子酰部分通过与羟基的相互作用将其锚定在蛋白质的裂隙中，从而解释了 EGCG 和表儿茶素没食子酸酯等没食子酰化儿茶素比非没食子酰化儿茶素具有更高的活性。在本文中，我们回顾了 EGCG 和其他植物儿茶素的 CMDA 和 XCA 的结果，以了解儿茶素-蛋白质的相互作用，期望开发出具有促进健康特性的新药。
