基于分子对接探究小粒黑豆对糖脂代谢相关酶的抑制作用

Inhibition of sugar and lipid metabolism-related enzymes by small black beans investigated through molecular docking

为了评价小黑豆在辅助预防糖脂代谢紊乱方面应用的可能性,测定小黑豆中异黄酮的含量,并体外测定小黑豆对α-淀粉酶、胰脂肪酶、乙酰胆碱酯酶、酪氨酸酶抑制作用。将小黑豆异黄酮主成分黄豆黄苷与以上酶的核心蛋白进行分子对接。结果显示小黑豆中异黄酮含量在60~80 mg CAE/g之间,体外试验发现小黑豆对α-淀粉酶、胰脂肪酶、乙酰胆碱酯酶、酪氨酸酶均有抑制作用。黄豆黄苷与胰脂肪酶中1LPA和1LPB、α-淀粉酶中3BAI和5U3A、乙酰胆碱酯酶中6U3P、酪氨酸酶中6Q0D靶蛋白均有良好的结合作用。由此可知小黑豆对多种糖脂代谢相关酶均有抑制作用。其辅助预防作用的主成分可能为异黄酮成分中的黄豆黄苷。

In order to evaluate the potential application of black soybeans in assisting the prevention of disorders in sugar and lipid metabolism,the content of isoflavones in black soybeans was determined.Additionally,in vitro assays were conducted to assess the inhibitory effects of black soybeans onα-amylase,pancreatic lipase,acetylcholinesterase,and tyrosinase.Molecular docking was carried out between the primary component of isoflavones in black soybeans,genistin,and the core proteins of the above enzymes.The results showed that the content of isoflavones in black soybeans ranged between 60~80 mg CAE/g.In vitro experiments revealed that black soybeans exhibited inhibitory effects onα-amylase,pancreatic lipase,acetylcholinesterase,and tyrosinase.Genistin showed good binding affinity with target proteins in pancreatic lipase(1LPA and 1LPB),α-amylase(3BAI and 5U3A),acetylcholinesterase(6U3P),and tyrosinase(6Q0D).Hence,it was evident that black soybeans had inhibitory effects on various enzymes related to sugar and lipid metabolism.The primary component responsible for its assistance in prevention may likely be genistin in the isoflavone components.