College of Food Science and Nutritional Engineering , China Agricultural University , 17 Qinghuadonglu Road , Beijing 100083 , P. R. China.
J Agric Food Chem. 2019 Dec 26;67(51):14066-14073. doi: 10.1021/acs.jafc.9b05212. Epub 2019 Dec 10.
In the present study, the inhibitory effect of condensed tannins (CTs) on cholesterol esterase (CEase) was studied. The underlying mechanisms were evaluated by reaction kinetics, turbidity and particle size analyses, multispectroscopy methods, thermodynamics, and computer molecular simulations. CTs showed potent CEase inhibitory activity with an IC value of 64.19 μg/mL, and the CEase activity decreased with increasing CT content in a mixed-competitive manner, which was verified by molecular docking simulations. Fluorescence and UV-vis measurements revealed that complexes were formed from CEase and CTs by noncovalent interaction. Isothermal titration calorimetry indicated that the interaction between CEase and CTs occurred through hydrogen bonding and hydrophobic interactions. Circular dichroism analysis suggested that CTs inhibited the activity of CEase by altering the secondary structure of CEase. The inhibition of CTs on CEase in the gastrointestinal tract might be one mechanism for its cholesterol-lowering effect.
在本研究中,研究了单宁(CTs)对胆固醇酯酶(CEase)的抑制作用。通过反应动力学、浊度和粒径分析、多光谱方法、热力学和计算机分子模拟评估了潜在机制。单宁具有很强的 CEase 抑制活性,IC 值为 64.19 μg/mL,CEase 活性随单宁含量的增加呈混合竞争性降低,这通过分子对接模拟得到了验证。荧光和紫外-可见测量表明,CEase 和单宁之间通过非共价相互作用形成复合物。等温滴定量热法表明,CEase 和单宁之间的相互作用是通过氢键和疏水相互作用发生的。圆二色性分析表明,单宁通过改变 CEase 的二级结构来抑制其活性。单宁在胃肠道中对 CEase 的抑制可能是其降低胆固醇作用的一种机制。