中国药物警戒 ›› 2023, Vol. 20 ›› Issue (2): 171-176.
DOI: 10.19803/j.1672-8629.20210654

• 基础与临床研究 • 上一篇    下一篇

红禾麻入血成分治疗类风湿性关节炎的作用机制

付昌丽1,3, 陆苑2, 陈思颖2, 王永林2, 李勇军1, 王爱民1#, 刘春花1*   

  1. 1贵州医科大学民族药与中药开发应用教育部工程研究中心,省部共建药用植物功效与利用国家重点实验室,贵州 贵阳 550004;
    2贵州医科大学,贵州省药物制剂重点实验室,贵州 贵阳 550004;
    3贵州医科大学药学院,贵州 贵阳 550004
  • 收稿日期:2021-07-08 出版日期:2023-02-15 发布日期:2023-02-17
  • 通讯作者: *刘春花,女,博士,副教授,中药药效物质基础及作用机制研究。E-mail: liuch2016@gmc.edu.cn;#为共同通信作者。
  • 作者简介:付昌丽,女,在读硕士,中药作用机制。
  • 基金资助:
    国家自然科学基金资助项目（U1812403）; 中央引导地方科技专项项目（黔科中引地[2018]4006）

Mechanisms of Laportea bulbifera against rheumatoid arthritis

FU Changli1,3, LU Yuan2, CHEN Siying2, WANG Yonglin2, LI Yongjun1, WANG Aimin1#, LIU Chunhua1*   

  1. 1State Key Laboratory of Functions and Applications of Medicinal Plants, Engineering Research Center for the Development and Application of Ethnic Medicine and TCM, Ministry of Education, Guizhou Medical University, Guiyang Guizhou 550004, China;
    2Guizhou Provincial Key Laboratory of Pharmaceutics, Guizhou Medical University, Guiyang Guizhou 550004, China;
    3School of Pharmacy, Guizhou Medical University, Guiyang Guizhou 550004, China
  • Received:2021-07-08 Online:2023-02-15 Published:2023-02-17

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摘要： 目的 基于网络药理学和分子对接的方法探究红禾麻入血成分治疗类风湿性关节炎(rheumatoid arthritis, RA)的作用机制。方法 在数据库中预测入血成分和疾病相关靶点,获取两者的共有靶点并运用String数据库分析蛋白-蛋白相互作用关系。利用Metascape数据库对共有靶点进行基因功能注释（Gene Ontology, GO）和京都基因与基因组百科全书（Kyoto Encyclopedia of Genes and Genomes, KEGG）富集分析;建立红禾麻入血成分-靶点网络和入血成分-靶点-信号通路网络图,综合筛选关键靶点;运用AutoDock vina软件对入血成分与关键靶点进行分子对接验证。结果 红禾麻入22个血移行成分和代谢产物作用于292个疾病靶点;INS、IL-6、MAPK3及TNF等可能是红禾麻治疗RA的关键靶点,涉及对细胞氮化合物反应、激素刺激反应和有机氮化合物反应等生物过程,主要涉及的传导途径是TNF信号通路与Th17细胞分化等。分子对接结果显示,黄酮类和酚酸类可能是红禾麻治疗RA的主要活性成分,与关键靶点产生较强的亲和力。结论 红禾麻治疗RA具有“多成分、多靶点、多途径”的特点,可能的机制是红禾麻的黄酮类和酚酸类成分作用于MAPK3、PTGS2、TNF及IL-6等蛋白,并通过调节Th17和TNF等相关信号通路起治疗RA的作用。本研究可为红禾麻的深入开发和利用提供一定的参考数据。

关键词: 红禾麻, 槲皮苷, 木犀草苷, 类风湿性关节炎, 网络药理学, 分子对接

Abstract: Objective To study the mechanism of the components of Laportea bulbifera absorbed in blood in the treatment of rheumatoid arthritis (RA) based on network pharmacology and molecular docking. Methods The protein targets of the components and disease-related protein targets were predicted in the database. The protein-protein interactions of the common protein targets were analyzed via the String database. The Metascape database was used to carry out Gene Ontology (GO) and pathways analysis of Kyoto Encyclopedia of Genes and Genomes (KEGG). Network diagrams of “absorbed components - targets” and “components - targets - signal pathways” were constructed to obtain the key targets. Molecular docking between the components absorbed in blood and potential key targets were analyzed using AutoDock vina software to screen and verify the main active components and targets of Laportea bulbifera in the treatment of RA. Results The results showed that there were 22 components or metabolites in blood from Laportea bulbifera, which acted on 292 targets linked to RA. The core targets might be INS, IL-6, MAPK3 and TNF. The predicted target genes of Laportea bulbifera on RA mainly involved the response to cellular nitrogen compounds, hormone stimulation and organic nitrogen compound reaction. These components in blood from Laportea bulbifera might mainly act on TNF signaling pathway and Th17 cell differentiation signaling pathways. Molecular docking results showed that flavonoids and phenolic acids were the main components that could interact strongly with the core targets, and that they could have strong affinity with multiple targets. Conclusion The mechanism of Laportea bulbifera against RA is possibly associated with multi-ingredients, multi-targets and multi-pathways. The main active components (flavonoids and phenolic acids) act on key proteins including MAPK3, PTGS2, TNF and IL-6 and regulate Th17 cell differentiation and TNF signaling pathways.

Key words: Laportea bulbifera (Sieb.et Zucc.)Wedd., quercitrin, cynaroside, rheumatoid arthritis, network pharmacology, molecular docking

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