The inhibition of α-glucosidase and glycation is closely related to the treatment of type 2 diabetes mellitus (DM) and its complications. In this study, quercetin-3-O-glucuronide (Q3GA) showed reversible and mixed-mode inhibition of α-glucosidase activity, with an IC₅₀ value of 108.11 ± 4.61 μM. This was mainly due to the spontaneous formation of Q3GA–α-glucosidase driven by hydrogen bonding and van der Waals forces, which could change the microenvironments and conformation of α-glucosidase. In addition, Q3GA showed strong suppression of the formation of glycation products, including fructosamine, advanced glycation end products (AGEs), and 5-hydroxymethylfurfural (5-HMF). Molecular docking analysis demonstrated that Q3GA entered the hydrophobic pocket of ovalbumin to form six hydrogen bonds with amino acid residues, which affected the glycation process. These findings indicate that Q3GA is an excellent inhibitor of α-glucosidase and glycation, and promote its development as a drug or dietary supplement for DM.

中文翻译：

---

通过光谱和分子对接研究槲皮素-3-O-葡萄糖苷酸抑制α-葡萄糖苷酶活性和非酶糖基化的机制

抑制α-葡萄糖苷酶和糖化与2型糖尿病（DM）及其并发症的治疗密切相关。在这项研究中，quercetin-3- O - glucuronide (Q3GA) 对 α-葡萄糖苷酶活性具有可逆的混合模式抑制作用，IC ₅₀值为 108.11 ± 4.61 μM。这主要是由于Q3GA-α-葡萄糖苷酶在氢键和范德华力的驱动下自发形成，从而改变了α-葡萄糖苷酶的微环境和构象。此外，Q3GA 对糖基化产物的形成有很强的抑制作用，包括果糖胺、晚期糖基化终产物 (AGEs) 和 5-羟甲基糠醛 (5-HMF)。分子对接分析表明，Q3GA进入卵清蛋白的疏水袋与氨基酸残基形成六个氢键，从而影响糖基化过程。这些发现表明，Q3GA 是一种出色的 α-葡萄糖苷酶和糖基化抑制剂，并促进其作为 DM 的药物或膳食补充剂的发展。