神经药理学报 ›› 2020, Vol. 10 ›› Issue (6): 1-12.DOI: 10.3969/j.issn.2095-1396.2020.06.001

• 研究论文 •    下一篇

基于网络药理学研究赤芍防治肝癌的作用机制

尤斯涵,白景茹,王治宝,谭晓虹,郭春燕
  

  1. 河北北方学院药学系,张家口,075000,中国
  • 出版日期:2020-12-26 发布日期:2020-12-26
  • 通讯作者: 郭春燕,女,教授,硕士生导师;研究方向:体内药物分析和靶向药物分析;E-mail:guochy0311@ 谭晓虹,女,副教授;E-mail 936692381@qq.com
  • 作者简介:尤斯涵,女;研究方向:网络药理学;E-mail:478032008@qq.com
  • 基金资助:
    2020 年河北省大学生创新创业训练计划项目(No.202010092003)

Study on the Mechanism of Radix Paeoniae Rubra on Hepatocellular Carcinoma Based on Network Pharmacology

YOU Si-han,BAI Jing-ru,WANG Zhi-bao,TAN Xiao-hong,GUO Chun-yan   

  1. Department of Pharmacy,Hebei North University,Zhangjiakou,075000,China
  • Online:2020-12-26 Published:2020-12-26
  • Contact: 郭春燕,女,教授,硕士生导师;研究方向:体内药物分析和靶向药物分析;E-mail:guochy0311@ 谭晓虹,女,副教授;E-mail 936692381@qq.com
  • About author:尤斯涵,女;研究方向:网络药理学;E-mail:478032008@qq.com
  • Supported by:
    2020 年河北省大学生创新创业训练计划项目(No.202010092003)

摘要:

目的:通过网络药理学预测赤芍防治肝癌的作用机制。方法:通过 TCMSP 数据库(https://tcmspw. com/tcmspsearch.php)检索赤芍的化学成分,通过 STD 数据库以及 SEA 数据库预测赤芍的作用靶点。通过 OMIM 数据库(http://www.omim.org/)、DrugBank 数据库(https://www.drugbank.ca/)以及 TTD 数据库(http:// d b . i d r b l a b . n e t / t t d / ) 搜 集 肝 癌 疾 病 相 关 靶 点 ,筛 选 获 得 赤 芍 成 分 作 用 靶 点 与 肝 癌 疾 病 相 关 靶 点 交 集 ,利 用 S t r i n g 平台搜集相关靶点蛋白,借助 DAVID 数据库进行 Gene Ontology 注释分析,并通过 Cytoscape 3.2.1 软件构建蛋 白 - 蛋白相互作用网络,拓扑分析得到核心靶点,进一步分析赤芍防治肝癌作用机制。结果:从中药赤芍中筛选 得到 28 个化合物成分以及 442 个作用靶点,与 148 个肝癌相关靶点取交集得到 23 个共同靶点,靶点映射获得 22 个活性成分,蛋白 - 蛋白相互作用网络有 193 个节点,722 条边,经拓扑学指标筛选得到 95 个节点,439 条边, 核心靶点有 21 个。GO 注释得到 561 条生物过程,85 条细胞组分以及 130 条分子功能的信息。结论:网络药理 学直观地显示了赤芍防治肝癌具有多成分、多靶点、多通路的特点,为后续开发治疗肝癌的药物提供了理论基础。


关键词: 肝癌, 网络药理学, 赤芍, 芍药苷

Abstract:

Objective:To predict the mechanism of Radix Paeoniae Rubra in the treatment of hepatocellular carcinoma(HCC)by network pharmacology. Methods:Through TCMSP database(https://tcmspw.com/tcmspsearch.php),the chemical constituents of Radix Paeoniae Rubra were searchedand the targets of Radix Paeoniae Rubra were predicted by STD database and SEA database. Through OMIM database(http://www.omim.org),drugbank database(https:// www.drugbank.ca/)and TTD database(http://db.idrblab.net/ttd/),the corresponding targets of HCC were collected. Then, the common targets from both active ingredient targets and HCC disease targets were obtained. The String platform was used to collect liver cancer disease-related target proteins, and GO analysis was performed with David database. Protein-protein interaction (PPI) network was constructed by Cytoscape 3.2.1 software, and the core targets were obtained by topological analysis. The mechanism of Radix Paeoniae Rubra on HCC was further analyzed.  Results:A total of 28 compounds and 442 targets from Radix Paeoniae Rubra were obtained from TCMSP database. A total of 148 HCC-related disease targets were retrieved from OMIM, DrugBank and TTD databases. Twenty-three common targets from both active ingredient targets and HCC disease targets were obtained. There were 193 nodes and 722 edges in the protein- protein interaction networkand 95 nodes439 edges and 21 core targets were obtained by topological index screening. A total of 561 biological processes85 cellular components and 130 molecular functions were obtained by GO annotation. Conclusion:Network pharmacology intuitively shows that Radix Paeoniae Rubra has multiple componentsmultiple targets and multiple pathways in the treatment of HCC. This study provides a theoretical basis for the follow-up development of medicines for the treatment of HCC.


Key words: hepatocellular carcinoma, network pharmacology, Radix Paeoniae Rubra, Paeoniflorin

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