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Free and Bound Phenolics of Buckwheat Varieties: HPLC Characterization Antioxidant Activity and Inhibitory Potency towards α-Glucosidase with Molecular Docking Analysis

机译:荞麦品种的游离和结合酚类:分子对接分析的HPLC表征抗氧化活性和对α-葡萄糖苷酶的抑制能力

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摘要

Free and bound phenolic fractions from six buckwheat varieties were investigated for their compositions, antioxidant activities, and inhibitory effects on α-glucosidase. The results showed that different buckwheat varieties have significant differences in phenolic/flavonoid contents, and these contents were found in higher quantities in free form than in bound form. HPLC results revealed that rutin, quercetin, and kaempferol-3-O-rutinoside were the most abundant components in free and bound forms, whereas dihydromyricetin was found only in the bound form. Free phenolics showed higher antioxidant activities of DPPH, ABTS , OH•, and FRAP than those of bound phenolics. Strong inhibitory effects against α-glucosidase by the free/bound phenolic fractions were found in all buckwheat varieties, and free phenolics showed stronger -glucosidase inhibition than that of the corresponding bound phenolics. More importantly, the main phenolic compounds observed in the buckwheat varieties were subjected to molecular docking analysis to provide insight into their interactions with α-glucosidase. The contributions by individual phenolics to the observed variation was analysed by Pearson correlation coefficient analysis and principal component analysis. The present study provides a comprehensive comparison for the phenolic fractions of buckwheat varieties and identify the main contributors to antioxidant and α-glucosidase inhibitory activity.
机译:研究了来自六个荞麦品种的游离和结合酚类馏分的成分,抗氧化活性以及对α-葡萄糖苷酶的抑制作用。结果表明,不同荞麦品种的酚/类黄酮含量存在显着差异,其中游离形式的含量高于结合形式的含量。 HPLC结果显示,芦丁,槲皮素和山奈酚-3-O-芸香糖苷是游离和结合形式中含量最高的组分,而二氢杨梅素仅以结合形式存在。游离酚类化合物的DPPH,ABTS,OH•和FRAP的抗氧化活性高于结合酚类化合物。在所有荞麦品种中,游离/结合酚类组分均对α-葡萄糖苷酶具有较强的抑制作用,并且游离酚类化合物对葡萄糖苷酶的抑制作用强于相应的结合酚类。更重要的是,对荞麦品种中观察到的主要酚类化合物进行了分子对接分析,以了解它们与α-葡萄糖苷酶的相互作用。通过Pearson相关系数分析和主成分分析来分析各个酚类化合物对观察到的变化的贡献。本研究为荞麦品种的酚类成分提供了全面的比较,并确定了抗氧化剂和α-葡萄糖苷酶抑制活性的主要贡献者。

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