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目的通过分子对接筛选药桑中抑制α-葡萄糖苷酶活性成分,为从天然产物中发现新的α-葡萄糖苷酶抑制剂提供参考。方法应用Autodock vina软件将药桑中的12种成分作为配体与α-葡萄糖苷酶进行对接,以阿卡波糖评分5.14作为阈值,筛选出药桑中潜在的抑制α-葡萄糖苷酶活性的成分,并对得分值高的成分测定其体外α-葡萄糖苷酶抑制活性。结果 12种成分进行对接后,11种成分对接得分高于阈值,其中1-脱氧野尻霉素(10.49)、荞麦碱(9.17)、白藜芦醇(8.5)、异槲皮苷(10.32)、异鼠李素(8.49)等得分较高。体外实验表明异槲皮苷、异鼠李素、紫云英苷、新绿原酸、隐绿原酸,白藜芦醇、各药用部位提取物具有良好的α-葡萄糖苷酶抑制活性。结论药桑中8种成分对α-葡萄糖苷酶皆具有潜在抑制活性,为药桑抑制α-葡萄糖苷酶抗糖尿病的物质基础做了新的补充参考。
Abstract：Objective To screen the α-glucosidase inhibitory components by molecular docking from Morus nigra Linn.and provide reference for the discovery of new α-glucosidase inhibitors. Methods Using autodock vina software, 12 kinds of compounds from Morus nigra Linn. were used as ligands to dock with α-glucosidase. The acarbose score 5.14 was used as the threshold value to screen out the components that inhibit α-glucosidase in Morus nigra Linn., and the enzyme activity of some components with high score was tested in vitro. Results After docking 12 components with α-glucosidase, 11 components scored higher than the threshold, among which 1-deoxynojirimycin(10.49), fagomine(9.17), resveratrol(8.5), isoquercitrin(10.32) and isorhamnetin(8.49) scored higher. The activity test in vitro showed that isoquercitrin, isorhamnetin, astragaloside, neochlorogenic acid, cryptochlorogenic acid, resveratrol and extracts from different parts of Morus nigra Linn. had good α-glucosidase inhibitory activity. Conclusion In this study, it was found that the eight compounds in Morus nigra Linn. had potential inhibitory activity on α-glucosidase, which provided a new supplementary reference for the material basis of Morus nigra Linn. inhibiting α-glucosidase against diabetes.
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基本信息:
中图分类号:R284
引用信息:
[1]李德龙,伊丽则热·艾拜杜拉,陈冰婷,等.基于分子对接筛选药桑中抑制α-葡萄糖苷酶活性成分[J].新疆医科大学学报,2021,44(11):1275-1281.
基金信息:
国家自然科学基金（81760753）; 新疆维吾尔自治区自然科学基金（2018D01C170）
2021-06-09
2021
2021-11-17
2021
1
2021-11-15
2021-11-15