摘要
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Autodockvina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。
Objective To screen theα-glucosidase inhibitory components by molecular docking from Morus nigra Linn.and provide reference for the discovery of newα-glucosidase inhibitors.Methods Using autodock vina software,12 kinds of compounds from Morus nigra Linn.were used as ligands to dock withα-glucosidase.The acarbose score 5.14 was used as the threshold value to screen out the components that inhibitα-glucosidase in Morus nigra Linn.,and the enzyme activity of some components with high score was tested in vitro.Results After docking 12 components withα-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 goodα-glucosidase inhibitory activity.Conclusion In this study,it was found that the eight compounds in Morus nigra Linn.had potential inhibitory activity onα-glucosidase,which provided a new supplementary reference for the material basis of Morus nigra Linn.inhibitingα-glucosidase against diabetes.
作者
李德龙
伊丽则热·艾拜杜拉
陈冰婷
谭惠文
何韬
马晓丽
LI Delong;Yilzera Aibaidula;CHEN Bingting;TAN Huiwen;HE Tao;MA Xiaoli(Department of Pharmacy,Xinjiang Medical University,Urumqi 830011,China)
出处
《新疆医科大学学报》
CAS
2021年第11期1275-1281,共7页
Journal of Xinjiang Medical University
基金
国家自然科学基金(81760753)
新疆维吾尔自治区自然科学基金(2018D01C170)。
关键词
药桑
Α-葡萄糖苷酶抑制剂
分子对接
筛选
Morus nigra Linn.
α-glucosidase inhibitor
molecular docking
screening
