天然产物研究与开发 ›› 2020, Vol. 32 ›› Issue (5): 759-768.doi: 10.16333/j.1001-6880.2020.5.006

• 研究论文 • 上一篇    下一篇

基于网络药理学研究南五味子对肝损伤的保护作用机制分析

姜海慧，唐凯，张化为，姜祎，宋小妹，黄文丽，邓翀*


  

  1. 陕西中医药大学 陕西省秦岭中草药应用开发工程技术研究中心 陕西省中药基础与新药研究重点实验室，咸阳 712046

  • 出版日期:2020-05-28 发布日期:2020-06-16
  • 基金资助:
    陕西省教育厅重点科研计划（18JS028）；陕西省中医药大学学科创新团队项目（2019-YL12)

Study on mechanisms of Schisandra sphenanthera for treating hepatic injury based on network pharmacology

JIANG Hai-hui,TANG Kai,ZHANG Hua-wei,JIANG Yi,SONG Xiao-mei,HUANG Wen-li,DENG Chong*   

  1. Shaanxi University of Chinese Medicine,Chinese Traditional and Herbal Drugs from Qinling Mountain Application Development Engineering Technology Research Center,Key Laboratory for Traditional Chinese Medicine and New Drug Research of Shaanxi,Xianyang 712046,China

  • Online:2020-05-28 Published:2020-06-16

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摘要：

通过网络药理学和分子对接的方式探究南五味子治疗肝损伤的作用机制。通过多个数据库检索并筛选出南五味子的活性成分和其治疗肝损伤的相关靶点。采用Cytoscape3.2.1软件构建活性成分-潜在靶点的网络图；运用String数据库做蛋白相互作用分析。使用R project对南五味子治疗肝损伤的关键靶点进行GO和KEGG的富集分析和网络构建，最后通过分子对接验证。最终筛选出南五味子有效化学成分31个，与肝损伤相关的靶点358个，KEGG富集分析主要在168条相关信号通路，分析表明南五味子可能通过PIK3CA、MAPK1、MAPK3、STAT3等核心靶点发挥作用，这些靶点主要富集Neuroactive ligand-receptor interaction、Proteoglycans in cancer、Prostate cancer、EGFR tyrosine kinase inhibitor resistance、Hepatitis B、ErbB signaling pathway等多条通路上，分子对接结果也显示良好的结合效果。本研究揭示了南五味子中的多成分作用于多靶点、多信号通路治疗肝损伤的作用机制，为生物实验提供理论基础。

关键词: 网络药理学, 肝损伤, 南五味子, 作用机制, 分子对接

Abstract:

To explore the mechanism of Schisandra sphenanthera in treating hepatic injury by network pharmacology and molecular docking.The active ingredients of S. sphenanthera and related targets for treating hepatic injury were screened from imultiple databases.Cytoscape3.2.1 software was used to construct a network diagram of active ingredients-potential targets.The protein interactions network was constructed using the String database.The GO and KEGG pathways involved in the targets were analyzed by R.Then they were verified by molecular docking.At last,31 active chemical components of S. sphenanthera and 358 targets related to hepatic injury were screened.The KEGG analysis mainly focused on 168 related signal pathways,the results showed that S. sphenanthera may play a role through PIK3CA,MAPK1,MAPK3,STAT3 and other key targets,these targets were mainly Neuroactive ligand-receptor interaction,Proteoglycans in cancer,Prostate cancer,EGFR tyrosine kinase inhibitor resistance,Hepatitis B,ErbB signaling pathway and other pathways;The molecular docking results also show good binding interaction.This study revealed the mechanism of S. sphenanthera to treat hepatic injury through multi-component act on multi-targets and multi-pathway synthesis,and provided a theoretical basis for biological experiments.

Key words: network pharmacology, hepatic injury, Schisandra sphenanthera, mechanism, molecular docking

中图分类号:  R285

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