Hypoglycemic potential and xanthine-oxidase (XO) activity of polyphenols from faba bean were evaluated in the 3T3-L1 cell line, and an interaction study in silico with XO was performed with considerable bioactive components of acetone extract of faba beans. The protonated and fragmented behavior of acetone seed extract revealed the presence of gallic acid (MS/MS, m/z 169) and catechin (MSⁿ, m/z 288.3). Flow cytometry study explained the effect of hydrogen peroxide (H₂O₂) on cell line as cell death was increased from 9.72 to 41.66% as compared to the control (without H₂O₂). The atomic force microscopy (AFM), scanning electron microscopy and reactive oxygen species measurement also confirmed the protective effect of polyphenols in the 3T3-L1 cell lines. Oxidative stress through propidium iodide and 4′,6-diamidino-2-phenylindole staining demonstrated that the apoptotic ratio was 0.35 ± 2.62 (P < 0.05) and 30 ± 2.54% in H₂O₂-treated cells, respectively, as compared to control. The observations of flow cytometry and confocal microscopy marked the effect of seed extract (0.86 ± 0.031, 3.52 ± 0.52, P < 0.05), on glucose uptake in cells through the better relative fluorescence intensity than that of the control. Moreover, molecular docking and molecular dynamics simulation studies gave an insight into the predicted residues that hold favorable polyphenolic-specific interactions. The probable binding modes of the gallic acid and catechin from this study may extend the knowledge of the XO-polyphenol interactions and offered the way to design the analogs of acetone seed extract with reduced toxicity.

中文翻译：

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从蚕豆衍生的多酚（没食子酸，儿茶素）对3T3-L1细胞系的降血糖作用，氧化应激电位和黄嘌呤氧化酶活性的研究：对分子对接和模拟研究的见解。

在3T3-L1细胞系中评估了蚕豆中多酚的降血糖潜能和黄嘌呤氧化酶（XO）活性，并对蚕豆丙酮提取物的大量生物活性成分与XO进行了计算机交互研究。丙酮种子提取物的质子化和碎片化行为表明存在没食子酸（MS / MS，m / z 169）和儿茶素（MS ⁿ，m / z 288.3）。流式细胞仪研究解释了过氧化氢（H ₂ O ₂）对细胞系的影响，因为与对照（无H ₂ O _2）相比，细胞死亡从9.72增加到41.66％）。原子力显微镜（AFM），扫描电子显微镜和活性氧的测量也证实了多酚对3T3-L1细胞系的保护作用。通过碘化丙啶和4'，6-diamidino-2-phenylindole染色的氧化应激表明，与 H ₂ O ₂处理的细胞相比，其凋亡率分别为0.35±2.62（P <0.05）和30±2.54％。控制。流式细胞术和共聚焦显微镜观察显示了种子提取物的作用（0.86±0.031，3.52±0.52，P <0.05），通过葡萄糖相对于对照的荧光强度更好。此外，分子对接和分子动力学模拟研究提供了对预测残基的洞察力，这些残基具有良好的多酚特异性相互作用。这项研究中没食子酸和儿茶素的可能结合方式可能扩展了XO-多酚相互作用的知识，并提供了设计毒性降低的丙酮种子提取物类似物的方法。