He Dong, Peng Xue, Xing Yi-Fan, Wang Yi, Zeng Wen, Su Nan, Zhang Chong, Lu Dian-Nan, Xing Xin-Hui
Key Laboratory for Industrial Biocatalysis, Ministry of Education, Institute of Biochemical Engineering, Department of Chemical Engineering, Beijing 100084, China.
Key Laboratory for Industrial Biocatalysis, Ministry of Education, Institute of Biochemical Engineering, Department of Chemical Engineering, Beijing 100084, China; Center for Synthetic and Systems Biology, Tsinghua University, Beijing 100084, China.
Food Chem. 2020 Sep 30;325:126873. doi: 10.1016/j.foodchem.2020.126873. Epub 2020 Apr 23.
Gastrointestinal stability and cell entry efficiency affect the biological accessibility of chlorogenic acid (CGA). Here, wheat gluten hydrolysate (WGH) was proven to improve the stability of CGA during simulated gastrointestinal digestion, promote the intestinal epithelial cell entry efficiency of CGA, and increase its intracellular antioxidant activity. The interaction between WGH and CGA was studied by fluorescence quenching and molecular dynamics simulations. The thermodynamic parameters and molecular dynamics simulation analysis showed that the interaction between WGH and CGA was dependent on hydrogen bonding and hydrophobic and electrostatic interactions. Analyses of the binding sites of WGH showed that Arg12, Arg49, Lys54, and Pro74-Gln89 had strong interactions with CGA molecules. This interaction between CGA and WGH was related to both electrostatic interactions and their respective concentrations. Taken together, the stability, intestinal epithelial cell entry, and antioxidant activity of CGA can be increased by its molecular interactions with WGH.
胃肠道稳定性和细胞摄取效率会影响绿原酸（CGA）的生物可及性。在此，小麦麸质水解物（WGH）被证明可在模拟胃肠道消化过程中提高CGA的稳定性，促进CGA的肠上皮细胞摄取效率，并增强其细胞内抗氧化活性。通过荧光猝灭和分子动力学模拟研究了WGH与CGA之间的相互作用。热力学参数和分子动力学模拟分析表明，WGH与CGA之间的相互作用依赖于氢键以及疏水和静电相互作用。对WGH结合位点的分析表明，Arg12、Arg49、Lys54和Pro74 - Gln89与CGA分子有强烈的相互作用。CGA与WGH之间的这种相互作用与静电相互作用及其各自的浓度均有关。综上所述，CGA与WGH的分子相互作用可提高CGA的稳定性、肠上皮细胞摄取能力和抗氧化活性。
