天然产物研究与开发 ›› 2021, Vol. 33 ›› Issue (2): 291-303.doi: 10.16333/j.1001-6880.2021.2.014

所属专题: No.3

• 数据研究 • 上一篇    下一篇

基于网络药理学-分子对接研究桑不同入药部位防治糖尿病的作用机制

李德龙,何韬,陈冰婷,伊丽则热·艾拜杜拉,马晓丽*   

  1. 新疆医科大学药学院,乌鲁木齐 830011
  • 出版日期:2021-02-28 发布日期:2021-03-04
  • 基金资助:
    国家自然科学基金(81760753);新疆维吾尔自治区自然科学基金(2018D01C170)

Study on the mechanism of different parts of Morus alba L.in preventing and treating diabetes based on network pharmacology-molecular docking

LI De-long,HE Tao,CHEN Bing-ting,YILZERA Ai-bai-du-la,MA Xiao-li*   

  1. Department of Pharmacy,Xinjiang Medical University,Urumqi 830011,China
  • Online:2021-02-28 Published:2021-03-04

摘要: 采用网络药理学-分子对接研究桑不同入药部位防治糖尿病的作用机制,从TCMSP、TCMID等多个中药数据库获得桑不同部位桑叶、桑椹、桑枝中的成分信息,结合OMIM、TTD等疾病数据库获得糖尿病靶点信息,利用Cytoscape 3.7.2软件分别构建不同部位的“活性成分-疾病靶点”的复杂网络及拓扑分析,应用WebGestalt工具进行通路富集分析。使用Autodock vina软件对桑各入药部位主要活性成分与作用靶点进行分子对接。结果得到桑的不同入药部位主要有11个差异活性成分,调控MAPK8、AKT1、VEGFA、IL6、PPARG等32个核心靶点。靶点主要涉及急性炎症反应、有机氮化合物的反应、细胞增殖调控、对胰岛素刺激反应等生物过程。通过介素-17信号通路、肿瘤坏死因子信号通路、PI3K-AKT信号通路和MAPK信号通路等来发挥治疗糖尿病的作用。本研究通过网络药理学分析桑不同入药部位防治糖尿病的活性成分群及作用机制,为桑的不同入药部位防治糖尿病的作用关系给出了参考依据。

关键词: 网络药理学, 分子对接, 桑, 不同入药部位, 糖尿病, 作用机制

Abstract:

To explore the mechanism of different parts of M. alba in prevention and treatment of diabetes by network pharmacology and molecular docking.The component information of Folium Mori,Fructus Mori and Ramulus Mori in different parts of Morus alba L.was obtained from TCMSP,TCMID and other traditional Chinese medicine databases.Diabetes target information was obtained by combining OMIM,TTD and other disease databases.The complex network and topology analysis of "active ingredients-disease target" in different parts were constructed by using the software of Cytoscape 3.7.2,and the pathway enrichment was analyzed by WebGestalt tool.Autodock Vina software was used to conduct molecular docking between the main active components and the target of M. alba.Results there were 11 active components in different parts of M. alba,which regulated 32 core targets such as MAPK8,AKT1,VEGFA,IL6 and PPARG.The targets are mainly related to acute inflammatory response,organic nitrogen compounds reaction,cell proliferation regulation,insulin stimulation response and other biological processes.It can play a role in the treatment of diabetes through interleukin-17 signaling pathway,tumor necrosis factor signaling pathway,PI3K-Akt signaling pathway and MAPK signaling pathway.In this study,we analyzed the active component groups and action mechanism of different parts of M. alba in the prevention and treatment of diabetes mellitus through network pharmacology,and provided a reference basis for the relationship between the different parts of M. alba in the prevention and treatment of diabetes.

Key words: network pharmacology, molecular docking, Morus alba L., different parts, diabetes, mechanism

中图分类号:  R285