天然产物研究与开发 ›› 2021, Vol. 33 ›› Issue (增刊1): 109-117.doi: 10.16333/j.1001-6880.2021.S.013

• 数据研究 • 上一篇    下一篇

基于网络药理与分子对接探索延胡索治疗腱鞘炎的作用机制

邱珍珍1，周瑞1*，白洁1*，刘经纬2


  

  1. 1北京中医药大学中药学院，北京 102488；2首都经济贸易大学管理与工程学院，北京 100071
  • 出版日期:2021-08-28 发布日期:2021-09-08
  • 基金资助:
    北京中医药大学重点攻关项目（2018-JYBZZ-JS020,2020-JYB-ZDGG-50)

Mechanism of Rhizoma Corydalis in the treatment of tenosynovitis based on network pharmacology and molecular docking

QIU Zhen-zhen1,ZHOU Rui1*,BAI Jie1*,LIU Jing-wei2   

  1. 1School of Chinese Materia Medica,Beijing University of Chinese Medicine,Beijing 102488,China;2School of Management and Engineering,Capital University of Economics and Business,Beijing 100071,China

  • Online:2021-08-28 Published:2021-09-08

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摘要： 延胡索在治疗腱鞘炎的复方中常作为辅助药物，但由于延胡索治疗腱鞘炎的作用机理仍不明确，本次运用网络药理与分子对接探究延胡索治疗腱鞘炎的作用机制。首先在各类数据库获得药物有效成分和疾病靶标，后进行核心基因筛选、富集分析以及分子对接，筛选得到延胡索治疗腱鞘炎有16个有效成分， IL6、TNF是度值高且参与信号通路最多的核心基因，涉及的通路主要有糖尿病并发症中的AGE-RAGE信号通路、IL-17信号通路、类风湿关节炎等，分子对接结果显示槲皮素与IL6、TNF有很好的结合。本研究预测了延胡索通过多成分、多通路治疗腱鞘炎，为发掘延胡索更多的临床应用提供了思绪。

关键词: 延胡索, 腱鞘炎, 网络药理学, 分子对接, 核心基因

Abstract:

Rhizoma Corydalis is often used as an anauxiliary drug in the compound treatment of tenosynovitis.However,the mechanism of Rhizoma Corydalis in tenosynovitis is still unclear.This study focused the network pharmacology and molecular docking to explore the mechanism of Rhizoma Corydalis in the treatment of tenosynovitis.First of all,we obtained targets of active ingredients of Rhizoma Corydalis and disease from various databases.Moreover we conducted core gene screening,enrichment analysis,and molecular docking.The screening showed that Rhizoma Corydalis had 16 active ingredients for the treatment of tenosynovitis.IL6 and TNF were the core genes with high degrees and the most involved in pathways,mainly including AGE-RAGE signaling pathway in diabetic complications,IL-17 signaling pathway,rheumatoid arthritis,etc.The molecular docking results showed that quercetin had a better combination with IL6 and TNF.This study predicted that Rhizoma Corydalis can treat tenosynovitis through multiple components and multiple pathways,which provided ideas for exploring more pharmacological effects of Rhizoma Corydalis.

Key words: Rhizoma Corydalis, tenosynovitis, network pharmacology, molecular docking, core target

中图分类号:  R285

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