中国药科大学学报2025，Vol.56Issue(6)：737-746,10.DOI:10.11665/j.issn.1000-5048.2025021202
基于UHPLC-Q-Orbitrap HRMS技术和网络药理学探讨四子定喘颗粒治疗支气管哮喘的作用机制
Exploration of the mechanism of action of Sizi Dingchuan granules in the treatment of bronchial asthma based on UHPLC-Q-Orbitrap HRMS technology and network pharmacology
摘要
Abstract
This study employed ultrahigh-performance liquid chromatograph-hybrid quadrupole orbitrap high resolution mass spectrometry(UHPLC-Q-Orbitrap HRMS)to detect the chemical constituents of traditional Chinese medicine in Sizi Dingchuan granules.Network pharmacology and molecular docking techniques were then utilized to predict the effects of Sizi Dingchuan granules on bronchial asthma,along with its target molecules and signaling pathways.UHPLC analysis identified 172 compounds,including 84 flavonoids,38 organic acids and their derivatives,22 phenylpropanoids,16 organic oxygen compounds,3 phenolic compounds,2 terpenoids,2 sugars and glycosides,and 5 other compounds.Typical compound fragmentation patterns were documented.Using network pharmacology methods,117 compounds were ultimately selected for target prediction,establishing a"drug-component-target-disease"network,which revealed that quercetin,schisandrin A,baicalin,gomisin H,and baicalin exhibit multiple targets related to bronchial asthma,suggesting that they may be the active components responsible for the compound's efficacy in treating this condition.Protein-protein interaction analysis identified core targets including TNF,IL-6,JAK2,STAT3,BCL2,CASP3,and EGFR,primarily clustered within the JAK-STAT signaling pathway.This suggests that the main components of Sizi Dingchuan granules may regulate the balance between Th17 and Treg cells,as well as Th1 and Th2 cell differentiation,by modulating the JAK-STAT signaling pathway,thereby exerting a positive therapeutic effect on bronchial asthma.关键词
四子定喘颗粒/支气管哮喘/超高效液相色谱-四极杆轨道离子阱高分辨质谱技术/裂解途径/网络药理学Key words
Sizi Dingchuangranules/bronchial asthma/ultrahigh-performance liquid chromatograph-hybrid quadrupole orbitrap high resolution mass spectrometry/cleavage pathway/network pharmacology分类
医药卫生引用本文复制引用
张莹,古丽斯热·吾买尔,叶晨雨,姜德,张海英..基于UHPLC-Q-Orbitrap HRMS技术和网络药理学探讨四子定喘颗粒治疗支气管哮喘的作用机制[J].中国药科大学学报,2025,56(6):737-746,10.基金项目
"天山英才"医药卫生高层次人才培养计划(No.TSYC202301B011) （No.TSYC202301B011）
新疆医科大学西北燥证创新团队(No.XYD2024C02) This study was supported by the"Tianshan Yingcai"Medical and Health High-Level Talent Cultivation Program(No.TSYC202301B011)and the Xinjiang Medical University Innovation Team for Northwest Dryness Syndrome(No.XYD2024C02) （No.XYD2024C02）
