Effect of Rosa Roxburghii juice on starch digestibility: a focus on the binding of polyphenols to amylose and porcine pancreatic α-amylase by molecular modeling
Effect of Rosa Roxburghii juice on starch digestibility: a focus on the binding of polyphenols to amylose and porcine pancreatic α-amylase by molecular modeling
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DOI：
10.1016/j.foodhyd.2021.106966
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发表时间：
2021
影响因子：
10.7
通讯作者：
Jianzhong Zhu;Bin Zhang;C. Tan;Li Ding;M. Shao;Chun Chen;Xiong Fu;Qiang Huang
中科院分区：
文献类型：
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作者：
Jianzhong Zhu;Bin Zhang;C. Tan;Li Ding;M. Shao;Chun Chen;Xiong Fu;Qiang Huang
栗蔷薇（Rosa Roxburghii）是我国特有的水果，具有多种生物活性。研究了板栗玫瑰浓缩汁（CRJC）对普通小麦淀粉（NWS）消化率的影响，重点研究了多酚类物质与直链淀粉以及多酚类物质与猪胰α-淀粉酶（PPA）的相互作用。将NWS与CRJC混合，并使用Englyst法测定消化率。采用反相高效液相色谱-质谱联用技术分析了复方甘草酸苷的组成。用分子动力学方法研究了多酚与PPA、多酚与直链淀粉之间的相互作用。结果表明，CRJC能显著提高抗性淀粉含量。分子动力学结果与前人关于多酚类化合物（具有没食子酰基和糖基差异）对α-葡萄糖苷酶的抑制作用（IE）的对接和实验结果一致。MD结果还表明，具有更大分子量或大量氢键供体（HBDs）/受体（HBD）的复合多酚以比简单多酚更强和更持久的方式与直链淀粉结合。CRJC具有降低2型糖尿病发病风险的潜力，分子模拟可以成为研究食物系统机制的支持工具。
Chestnut rose (Rosa Roxburghii) is an endemic fruit in China with many bioactivities. The present study investigated the effect of chestnut rose juice concentrate (CRJC) on the digestibility of normal wheat starch (NWS), with a focus on the interaction between polyphenols and amylose as well as that between polyphenols and porcine pancreatic α-amylase (PPA). NWS was mixed with CRJC and digestibility was determined using Englyst method. The composition of CRJC was analyzed by ultrahigh performance liquid chromatography-mass spectrometry. Molecular dynamics (MD) was used to study the binding between polyphenols and PPA and between polyphenols and amylose. The results showed that CRJC could significantly increase the resistant starch content. The MD results agreed with previous docking and experimental results regarding the inhibitory effects (IEs) of polyphenols (with galloyl and glycosyl group differences) against α-glucosidase. The MD results also showed that complex polyphenols with greater molecular weights or a high number of hydrogen bond donors (HBDs)/acceptors (HBAs) bind in a stronger and more lasting manner with amylose than simple polyphenols. CRJC has the potential to reduce the risk of developing type 2 diabetes and molecular simulation can be a supporting tool to study mechanisms in food system.