天然产物研究与开发 ›› 2020, Vol. 32 ›› Issue (3): 403-413.doi: 10.16333/j.1001-6880.2020.3.008

• 研究论文 • 上一篇    下一篇

基于网络药理学对蒲公英抑制α-葡萄糖苷酶活性成分及作用机制的研究

赵光耀1,赵坤1,蒋文雯1*,王道平2,张明2   

  1. 1贵州大学药学院,贵阳 550025;2贵州省中国科学院天然产物化学重点实验室,贵阳 550014
  • 出版日期:2020-03-28 发布日期:2020-05-12
  • 基金资助:

    贵州省科技计划(黔科合平台人才[2017]5788号);贵州省科技计划(黔科合基础[2019]1120)

Study on active components and mechanism of inhibition of α-glucosidase by Taraxacum mongolicum based on network pharmacology

ZHAO Guang-yao1,ZHAO Kun1,JIANG Wen-wen1*,WANG Dao-ping2,ZHANG Ming2   

  1. 1Pharmacy College of Guizhou University,Guiyang 550025,China;2Key laboratory of Natural Products Chemistry of Guizhou Academy of Sciences,Guiyang 550014,China
  • Online:2020-03-28 Published:2020-05-12

摘要: 为阐明蒲公英对α-葡萄糖苷酶抑制的活性成分。实验对蒲公英进行活性筛选和分子对接,结果表明,其乙醇提取物的石油醚萃取成分能良好抑制α-葡萄糖苷酶的作用(IC50=0.9 μg/mL),其抑制效果强于阳性药阿卡波糖(IC50=174.3 μg/mL)。故采用GC-MS联用技术从上述成分中分离鉴定了37个化合物,由虚拟筛选后,共得到5个成药性强的小分子化合物;通过与人源性α-葡萄糖苷酶进行分子对接后,证实其中2个小分子化合物能与α-葡萄糖苷酶存在亲和性。基于网络药理学构建蒲公英“降糖成分—靶点”图,阐述蒲公英的降糖机理。

关键词: 蒲公英, &alpha, -葡萄糖苷酶, 气相色谱-质谱联用, 分子对接, 网络药理学

Abstract: In this study,a screening model of α-glucosidase inhibitor in vitro was utilized to screen the activity of the extract of Taraxacum mongolicum Hand.-Mazz from Guizhou Province.The results showed that the petroleum ether extracts of the extract of T. mongolicum from Guizhou Province significantly inhibited the activity of α-glucosidase (IC50=0.9 μg/mL).And its activity was stronger than that of the positive drug acarbose (IC50=174.3 μg/mL).Thirty-seven compounds were isolated and identified from petroleum ether extracts of T. mongolicum from Guizhou by GC-MS.Five small molecule compounds with strong drug-forming ability were obtained after virtual screening.Two small molecular compounds were identified as have have good affinity with human alpha-glucosidase after molecular docking with human α-glucosidase .Based on network pharmacology,the "hypoglycemic component-target" map of dandelion was constructed to explain the hypoglycemic mechanism of dandelion.

Key words: Taraxacum mongolicum Hand.-Mazz, α-glucosaccharase;gas chromatography-mass spectrometry;molecular docking;network

中图分类号: 

R284 R285