基于网络药理学及分子对接分析《石室秘录》解湿汤治疗痛风性关节炎作用机制
DOI:
CSTR:
作者:
作者单位:

作者简介:

通讯作者:

中图分类号:

R285

基金项目:

深圳市科技计划项目(KCXFZ20201221173612034)


Analysis of Mechanism of Jieshi Decoction from Shi Shi Mi Lu in Treating Gouty Arthritis Based on Network Pharmacology and Molecular Docking
Author:
Affiliation:

Fund Project:

  • 摘要
  • |
  • 图/表
  • |
  • 访问统计
  • |
  • 参考文献
  • |
  • 相似文献
  • |
  • 引证文献
  • |
  • 资源附件
  • |
  • 文章评论
    摘要:

    目的:应用网络药理学及分子对接技术分析解湿汤治疗痛风性关节炎(GA) 的作用机制。方法:通 过中药系统药理数据库TCMSP及BATMAN-TCM数据库筛选解湿汤活性成分及靶点,结合GeneCards、CTD和 OMIM数据库获取GA靶点。运用Venny平台进行靶点交集分析,采用String数据库构建PPI网络,利用R语言 进行GO和KEGG富集分析,并通过AutoDock软件进行分子对接验证。结果:共得到59个活性成分和295个交 集靶点。核心活性成分包括槲皮素、苯乙烯、肉桂酸、肉桂酸乙酯、反式肉桂酸和茴香脑等,PPI网络分析显 示AKT1、INS、TNF、IL6、TP53和ALB等为关键靶点。GO分析提示主要参与异生物刺激反应、营养水平反应 等生物学过程。KEGG分析富集于IL-17信号通路、AGE-RAGE信号通路等197条信号通路。槲皮素、苯乙烯 等活性成分与关键靶点TNF、INS具有良好的结合活性。结论:解湿汤可能通过槲皮素、苯乙烯等活性成分调 控AKT1、TNF等靶点,作用于IL-17、AGE-RAGE等信号通路,从而发挥抗炎、调节代谢和改善微环境的 作用。

    Abstract:

    Abstract: Objective: To analyze the mechanism of Jieshi Decoction in treating gouty arthritis(GA) using network pharmacology and molecular docking. Methods: Active components and targets of Jieshi Decoction were retrieved from TCMSP and BATMAN-TCM databases. GA-related targets were collected from GeneCards,CTD,and OMIM databases. Venny platform identified overlapping targets. STRING database constructed a protein-protein interaction(PPI) network. GO and KEGG enrichment analyses were performed using R software, with molecular docking validation via AutoDock Vina. Results: A total of 59 active components and 295 overlapping targets were identified. Core components included quercetin,styrene,cinnamic acid,ethylcinnamate,trans-cinnamic acid,and anethole. PPI analysis revealed AKT1,INS,TNF,IL6,TP53,and ALB as key targets. GO enrichment highlighted biological processes including response to xenobiotic stimulus and response to nutrient levels. KEGG analysis identified 197 signaling pathways,predominantly enriched in the IL-17 and AGE-RAGE signaling pathways. Molecular docking confirmed strong binding affinity between core components (quercetin, styrene) and key targets (TNF, INS). Conclusion: Jieshi Decoction exerts anti-inflammatory, metabolic regulatory, and microenvironment- modulating effects against GA by regulating targets like AKT1 and TNF through active components like quercetin and styrene, primarily via IL-17 and AGE-RAGE signaling pathways.

    参考文献
    相似文献
    引证文献
引用本文

王琛鑫,祁爱蓉.基于网络药理学及分子对接分析《石室秘录》解湿汤治疗痛风性关节炎作用机制[J].新中医,2025,57(17):7-14

复制
分享
相关视频

文章指标
  • 点击次数:
  • 下载次数:
  • HTML阅读次数:
  • 引用次数:
历史
  • 收稿日期:
  • 最后修改日期:
  • 录用日期:
  • 在线发布日期: 2025-09-05
  • 出版日期:
文章二维码