中国药物警戒 ›› 2025, Vol. 22 ›› Issue (11): 1246-1252.
DOI: 10.19803/j.1672-8629.20250620

• 基础与临床研究 • 上一篇    下一篇

基于UHPLC-MS/MS结合网络药理学解析芪参益气滴丸入血成分及抗心肌缺血再灌注损伤作用机制

刘姝伶1, 姜慧茹1, 崔鹤蓉2, 张泽涵3, 商洪才1,4*   

  1. 1北京中医药大学东直门医院数智中医慢病防治北京市重点实验室,中医内科学教育部重点实验室,北京 100700;
    2北京中医药大学生命科学院,北京 100029;
    3北京中医药大学中医学院,北京 100105;
    4北京中医药大学东方医院,北京 100078
  • 收稿日期:2025-09-02 出版日期:2025-11-15 发布日期:2025-11-14
  • 通讯作者: *商洪才,博士,研究员,中医临床证据评价、效应特点与其机制研究。E-mail: shanghongcai@126.com
  • 作者简介:刘姝伶,博士,助理研究员,中医临床证据评价、效应特点与其机制研究。
  • 基金资助:
    国家中医药管理局高水平中医药重点学科建设项目（zyyzdxk-2023270）; 国家自然科学基金资助项目（82204943）

Mechanisms of Anti-Myocardial Ischemia Reperfusion Injury of Qishen Yiqi Dropping Pills Based on UHPLC-MS/MS and Network Pharmacology

LIU Shuling1, JIANG Huiru1, CUI Herong2, ZHANG Zehan3, SHANG Hongcai1,4*   

  1. 1Beijing Key Laboratory of SMART Traditional Chinese Medicine for Chronic Disease Prevention and Treatment/Key Laboratory of Chinese Internal Medicine of Ministry of Education, Dongzhimen Hospital, Beijing University of Chinese Medicine, Beijing 100700, China;
    2School of Life Sciences, Beijing University of Chinese Medicine, Beijing 100029, China;
    3School of Traditional Chinese Medicine, Beijing University of Chinese Medicine, Beijing 100105, China;
    4Dongfang Hospital, Beijing University of Chinese Medicine, Beijing 100078, China
  • Received:2025-09-02 Online:2025-11-15 Published:2025-11-14

PDF (PC)

52

增强发表(附录)

1

摘要： 目的 基于超高效液相色谱串联三重四极杆质谱（UHPLC-MS/MS）对芪参益气滴丸（Qishen Yiqi Dropping Pills,QSYQ）中化学成分及入血成分进行鉴定,并探究QSYQ抗心肌缺血再灌注损伤（Myocardial Ischemia-Reperfusion Injury,MIRI）的作用机制。方法 采用ACQUITY UPLC HSS T3 Column色谱柱,以0.1%甲酸溶液（A）和含0.1%甲酸的乙腈溶液（B）为流动相进行梯度洗脱后,进行正、负离子扫描。采用UPLCI-Class和Synapt G2-Si Qtof用于中药化学成分的色谱分离和质谱数据采集,结合Unifi软件中天然产物的整体工作流程,基于6400天然产物的理论质谱数据库对药物成分进行数据处理,并对化学成分及入血成分进行初步鉴定。从数据库中检索入血成分及MIRI的相关靶点,通过蛋白互作网络（PPI）获取QSYQ治疗MIRI的核心靶点后,进行GO分析和KEGG分析。结果 在QSYQ中初步鉴定出194种化合物,在QSYQ灌胃大鼠血浆中初步鉴定出24种化合物。原型成分主要包括皂苷类、二萜醌类等。网络药理学显示该方可作用于PI3K-AKT、HIF-1等通路发挥抗MIRI功效。结论 本研究结果表明入血原型成分可能为QSYQ的有效成分,可为其药效物质基础研究及药理机制研究提供参考。

关键词: 芪参益气滴丸, 入血成分, 皂苷类, 二萜醌类, 心肌缺血再灌注损伤, 超高效液相色谱串联三重四极杆质谱（UHPLC-MS/MS）, 大鼠, 网络药理学

Abstract: Objective To identify the chemical constituents and blood-entering components of Qishen Yiqi dropping pills (QSYQ) using UHPLC-MS/MS, and to investigate its mechanism of action against myocardial ischemia-reperfusion injury (MIRI). Methods Chromatographic separation was performed on an ACQUITY UPLC HSS T3 column under gradient elution with a mobile phase consisting of 0.1% formic acid in water (A) and 0.1% formic acid in acetonitrile (B). Data acquisition was conducted in both positive and negative ionization modes using a UPLC I-Class system coupled with a Synapt G2-Si Q-TOF mass spectrometer. Data processing was performed using the Unifi software's natural product workflow. A theoretical mass spectrometry database of 6400 natural products was used for identification of chemical constituents and blood-entering components. Potential targets of the identified blood-entering components and MIRI-related targets were retrieved from databases. Protein-protein interaction (PPI) networks were constructed to identify core targets of QSYQ against MIRI, followed by Gene Ontology (GO) enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis. Results A total of 194 compounds were identified in QSYQ, while another 24 compounds were identified in the plasma of rats administered with QSYQ. The prototype components absorbed into the bloodstream included saponins and diterpenoid quinones. Network pharmacology analysis suggested that QSYQ exerted anti-MIRI effects by acting on key pathways such as the PI3K-AKT and HIF-1 signaling pathways. Conclusion The results of this study indicate that the prototype components absorbed into the bloodstream are likely the effective constituents of QSYQ. This research provides a reference for investigation into the pharmacodynamic material basis and pharmacological mechanisms of QSYQ.

Key words: Qishen Yiqi Dropping Pills, Blood-Entering Components, Saponins, Diterpenoid Quinones, Myocardial Ischemia-Reperfusion Injury, UHPLC-MS/MS, Rat, Network Pharmacology

中图分类号: