摘要
目的基于超高效液相色谱串联四级杆飞行时间质谱(UPLC-Q-TOF-MS/MS)技术鉴别蓝芩颗粒的主要化学成分,通过网络药理学方法分析蓝芩颗粒治疗呼吸道感染的潜在靶点、核心成分及相关通路。方法利用UPLC-Q-TOF-MS/MS二级碎片裂解信息,结合文献及数据库,对蓝芩颗粒化学成分进行分析;基于所鉴别的化学成分,采用PharmMapper预测蓝芩颗粒相关作用靶点;检索GeneCards、OMIM数据库获得呼吸道感染相关靶点,并与蓝芩颗粒的相关作用靶点取交集,将交集靶点导入STRING数据库并下载蛋白质相互作用数据,导入Cytoscape 3.7.2软件得到hub gene;利用DAVID数据库进行GO功能、KEGG通路富集分析,利用Network Anlyzer插件得到与hub gene关系密切的化学成分。结果辨识蓝芩颗粒化学成分53个,其中生物碱类化合物11个,黄酮类化合物20个,萜类化合物5个,有机酸酯类化合物7个,氨基酸类化合物2个,其他化合物8个。得到28个hub gene,相关核心成分38个。GO功能分析结果表明,蓝芩颗粒治疗呼吸道感染涉及中性粒细胞脱粒、凋亡过程的负调控、蛋白质水解等生物过程,胞外外来体、胞质、细胞外组分等细胞组分,相同蛋白结合、RNA聚合酶Ⅱ转录因子活性、配体激活序列特异性DNA结合、蛋白质丝氨酸/苏氨酸/酪氨酸激酶活性等分子功能。KEGG富集通路主要涉及癌症通路、脂质与动脉粥样硬化、代谢途径等信号通路。结论蓝芩颗粒治疗呼吸道感染具有多成分、多靶点、多通路的特点,具有抗炎、抗菌、抗病毒等作用。
Objective To analyze the main chemical components of Lanqin Granules based on UPLC-Q-TOF-MS/MS;To explore the potential targets,core components and related pathways of Lanqin Granules in the treatment of respiratory tract infection through network pharmacology.Methods Using UPLC-Q-TOF-MS/MS secondary fragment cleavage information,combined with literature and database,the chemical components of Lanqin Granules were analyzed;the related action targets of Lanqin Granules were obtained by PharmMapper;The related targets of respiratory tract infection were obtained from GeneCards and OMIM databases,and the common targets were selected by intersection with the relevant action targets of Lanqin Granules.The common targets were imported into string database,and the protein interaction data were downloaded and input into Cytoscape 3.7.2 software to obtain hub gene;Go function and KEGG pathway enrichment analysis were carried out on DAVID platform,and chemical components closely related to hub gene were obtained by using the Network Anlyzer plug-in.Results 53 chemical constituents of Lanqin Granules were obtained,including 11 alkaloids,20 flavonoids,5 terpenoids,7 organic esters,2 amino acids and 8 other compounds.28 hub genes and 38 related core components were obtained.The results of GO analysis showed that the treatment of respiratory tract infection with Lanqin Granules was related to neutrophil degranulation,negative regulation of apoptosis,protein hydrolysis and other biological processes;extracellular exosomes,cytoplasm,extracellular components and other cellular components;the same protein binding,RNA polymeraseⅡtranscription factor activity,ligand activated sequence specific DNA binding,protein serine/threonine/tyrosine kinase activity and other molecular processes.KEGG analysis results mainly involved cancer pathway,lipid and atherosclerosis,metabolic pathway and other signaling pathways.Conclusion Lanqin Granules can treat respiratory tract infection through multi-component,multi-target and multi-channel,and play the role of anti-inflammatory,antibacterial and anti-virus.
作者
毕真真
朱纲
周鑫
王建方
姚建标
刘豪
Bi Zhenzhen;Zhu Gang;Zhou Xin;Wang Jianfang;Yao Jianbiao;Liu Hao(Zhejiang CONBA Pharmaceutical Co.,Ltd.,Zhejiang Provincial Key Laboratory of Traditional Chinese Medicine Pharmaceutical Technology,Hangzhou 310052,China)
出处
《国际中医中药杂志》
2025年第3期348-356,共9页
International Journal of Traditional Chinese Medicine
基金
国家药品监督管理局中成药质量评价重点实验室开放课题(GZYZZ2020002)。
关键词
呼吸道感染
蓝芩颗粒
串联质谱法
网络药理学
Respiratory tract infection
LanQin Granules
Tandem mass spectrometry
Network pharmacology
