Biomolecular Engineering Laboratory, School of Biochemical Engineering, Indian Institute of Technology (Banaras Hindu University), Varanasi, India.
Department of Pharmacology, Institute of Medical Sciences, Banaras Hindu University, Varanasi, India.
Prep Biochem Biotechnol. 2020;50(2):123-132. doi: 10.1080/10826068.2019.1679171. Epub 2019 Nov 8.
The chemo-profiling of ethanolic extract of faba beans seeds was performed and explored as an α-glucosidase inhibitor. The inhibition of α-glucosidase is one of the alternatives approach to control postprandial hyperglycemia by, resulting in the delay of the carbohydrate digestion of absorbable monosaccharides. Ethanolic seed extract showed phenolic compounds, flavonoid such as gallic acid (/ [M- H] = 169.0124,CHO) ellagic acid derivatives epigallocatechin (/ [M- H = 305.0644,CHO),catechin (/ [M- H] = 289.0656,CHO), epigallocatechin gallate (/ [M- H] = 457.0578,CHO) and epicatechin monogallate (/ [M- H] = 441.081, CHO). The extract was found to exert inhibitory activity (88.28 ± 2.67%) (IC value of 2.30 ± 0.032 mg/mL) with a mixed mode of inhibition (, apparent = 0.54 ± 0.020 mM and , apparent 0.136 ± 0.04 mM/min). Molecular docking studies of gallic acid and catechin on α-glucosidase proposed productive binding modes having binding energy (-6.58 kcal/mol and -7.25 kcal/mol) with an effective number of hydrogen bonds and binding energy. Tyr63, Arg197, Asp198, Glu 233, Asn324, Asp 326 of α-glucosidase participated in binding events with gallic acid and catechin. Molecular dynamics simulation studies were performed for both complexes i.e. gal:α-glucosidase and cat:α-glucosidase along with apo state of α-glucosidase, which revealed stable systems during the simulation. These findings of the present study may give an insight into the further development of the novel antidiabetic drug from the seeds of faba beans.
对蚕豆种子的醇提物进行了化学特征分析，并将其作为α-葡萄糖苷酶抑制剂进行了探索。抑制α-葡萄糖苷酶是控制餐后高血糖的一种替代方法，可以延缓可吸收单糖的碳水化合物消化。醇提种子提取物显示出酚类化合物、类黄酮，如没食子酸（/ [M- H] = 169.0124，CHO）、鞣花酸衍生物表没食子儿茶素（/ [M- H = 305.0644，CHO）、儿茶素（/ [M- H] = 289.0656，CHO）、表没食子儿茶素没食子酸酯（/ [M- H] = 457.0578，CHO）和表儿茶素没食子酸酯（/ [M- H] = 441.081，CHO）。研究发现，该提取物具有抑制活性（88.28 ± 2.67%）（IC 值为 2.30 ± 0.032 mg/mL），具有混合抑制模式（，表观= 0.54 ± 0.020 mM 和，表观 0.136 ± 0.04 mM/min）。没食子酸和儿茶素对α-葡萄糖苷酶的分子对接研究提出了产生活性的结合模式，具有-6.58 kcal/mol 和-7.25 kcal/mol 的结合能，以及有效的氢键和结合能数。α-葡萄糖苷酶的 Tyr63、Arg197、Asp198、Glu 233、Asn324、Asp 326 参与了没食子酸和儿茶素的结合事件。对 gal:α-葡萄糖苷酶和 cat:α-葡萄糖苷酶复合物以及 apo 状态的α-葡萄糖苷酶进行了分子动力学模拟研究，结果表明在模拟过程中系统稳定。本研究的这些发现可能为进一步开发蚕豆种子的新型抗糖尿病药物提供思路。
