天然产物研究与开发 ›› 2021, Vol. 33 ›› Issue (6): 1045-1056.doi: 10.16333/j.1001-6880.2021.6.019

• 数据研究 • 上一篇    下一篇

基于数据挖掘和网络药理学分析《中国药典》治疗心悸药物配伍规律及其作用机制

徐宁阳1,王群1,刘悦2*,张哲1,杨关林1*   

  1. 1辽宁中医药大学,沈阳 110847;2辽宁中医药大学附属医院,沈阳 110032
  • 出版日期:2021-06-28 发布日期:2021-07-02

Network pharmacology analysis on anti-arrhythmic medicines gleaned from "Chinese Pharmacopoeia"

XU Ning-yang1,WANG Qun1,LIU Yue2*,ZHANG Zhe1,YANG Guan-lin1*   

  1. 1Liaoning University of Traditional Chinese Medicine,Shenyang 110847,China;2The Affiliated Hosptial of Liaoning University of Traditional Chinese Medicine,Shenyang 110032,China

  • Online:2021-06-28 Published:2021-07-02

摘要: 通过挖掘《中国药典》中用于治疗心悸中成药的组方规律,并通过网络药理学分析,探究中成药中心悸的应用规律及其可能存在的关键作用机制,为临床选方用药科研试验提供参照。在2015版《中国药典》(一部)收集用于治疗心悸的中成药的方剂名称、中药成分、中药用量、功能与主治,并录入中医传承辅助平台V2.5中,进行药频统计、关联分析、因子分析、聚类分析;并应用网络药理学的方法对用于治疗心悸的高频药物进行靶点预测、生物学功能及通路的富集分析。结果发现在2015版《中国药典》(一部)中共收集到79个中成药处方及176味中药,其中出现最高频药物为丹参31次、人参23次、麦冬18次,得到核心药物组合23条,并挖掘出新方组合9个。并根据网络药理学预测出最高频药物丹参有效成分65个,心悸疾病靶点79个,机制可能与PI3K-AKT信号通路、TNF信号通路等有关,并可能通过CHRM1/2/3、ACH、ADRA1A、ADRA1B、PTGS1/2等靶点基因起着重要作用。因此本文通过数据挖掘和网络药理学探究了《中国药典》中用于治疗心悸中成药的组方规律及作用机制,发现可能的关键靶点药物,为后续的临床选方用药科研试验提供参照。


关键词: 心悸, 数据挖掘, 组方规律, 中医药传承辅助平台V2.5, 网络药理学, 丹参

Abstract:

To apply network pharmacology analysis to explore the compatibility rules and action mechanisms of anti-arrhythmic Chinese patent medicines from the Chinese Pharmacopoeia.Chinese patent medicines used to treat cardiac arrhythmia,including prescriptions,ingredients,dosages,functions,and indications,were collected from the 2015 edition of the Chinese Pharmacopoeia (Volume I) and used to establish a database aided by the Chinese medicine inheritance assistance platform V2.5.Network pharmacology approaches,including drug frequency statistical analysis,association analysis,factor analysis,and cluster analysis,were used to predict drug targets,biological functions,and signaling pathways of high-frequency anti-arrhythmic drugs.Results showed that a total of 79 Chinese patent medicine prescriptions and 176 Chinese herbal medicines were collected from the 2015 Edition of the Chinese Pharmacopoeia (Vol I).Among them,drugs used with the highest frequencies were Salviae Miltiorrhizae Radix et Rhizoma (31 times),Ginseng Radix et Rhizoma (23 times),and Ophiopogonis Radix (18 times).There were also 23 core drug combinations and 9 new prescriptions involving drug combinations.Through network pharmacology analysis,65 active ingredients and 79 drug targets were identified for Salviae Miltiorrhizae Radix Et Rhizoma.Its mechanisms may involve signaling pathways such as PI3K-AKT and TNF,and may act through important targets including CHRM1/2/3,ACH,ADRA1A,ADRA1B,and PTGS1/2.This study demonstrates the efficacy of combining data mining of Chinese Pharmacopoeia with network pharmacology analysis in identifying compatibility rules and mechanisms of action of Chinese patent medicines used in the treatment of arrhythmia.The findings from this study will help to identify key drug targets and provide guidance for future drug research in clinic.

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中图分类号:  R966 R921.2