UPLC-Q-Exactive Orbitrap-MS联合网络药理学分析清肺汤抗肺炎活性作用机制  

Analysis of the mechanism of action of Qingfei Decoction's anti-pneumonia activity by UPLC-Q-Exactive Orbitrap-MS combined with network pharmacology

作　　者：王俊帅 王雪仪 王雪颖 刘臻茵 赵振霞 刘永利 李挥 WANG Junshuai;WANG Xueyi;WANG Xueying;LIU Zhenyin;ZHAO Zhenxia;LIU Yongli;LI Hui(School of Pharmacy,Henan University,Kaifeng,Henan 475000,China;Hebei Institute for Drug and Medical Device Inspection,Shijiazhuang,Hebei 050227,China)

机构地区：[1]河南大学药学院,河南开封475000 [2]河北省药品医疗器械检验研究院,河北石家庄050227

出　　处：《湖南中医药大学学报》2024年第12期2267-2276,共10页Journal of Hunan University of Chinese Medicine

基　　金：河北省自然科学基金项目(H2022329003)。

摘　　要：目的采用UPLC-Q-Excative Orbitrap-MS和网络药理学探讨清肺汤抗肺炎的作用机制。方法通过UPLC-Q-Excative Orbitrap-MS法进行分析,鉴定清肺汤的主要化学成分,结合Swisstarget收集清肺汤主要化学成分的作用靶点;利用OMIM、DrugBank及GeneCards等数据库获取“肺炎”的相关靶点,并与清肺汤化学成分靶点取交集筛选出共同靶点,通过蛋白质相互作用网络构建及GO、WikiPathways通路富集分析确定清肺汤治疗肺炎的重要信号通路。结果通过UPLC-Q-Excative Orbitrap-MS从清肺汤中鉴别出142种活性成分,获得200个清肺汤成分与肺炎交集靶点,构建网络后获取了44个潜在有效成分和131个肺炎关键靶点。KEGG通路富集分析表明,清肺汤通过MAPK3信号通路、EGFR信号通路、LCK信号通路等多种信号通路以及白细胞介素-5(interleukin-5,IL-5)、白细胞介素-2(interleukin-2,IL-2)和胸腺基质淋巴细胞生成素(thymic stromal lymphopoietin,TSLP)等多靶点发挥抗肺炎的作用。结论清肺汤中的活性成分可通过多通路、多靶点发挥调节免疫、抗炎、调节细胞凋亡、抗病毒感染和改善肺纤维化的作用,从而起到治疗肺炎的作用。Objective To explore the mechanism of action of Qingfei Decoction's anti-pneumonia activity using UPLC-Q-Excative Orbitrap-MS and network pharmacology.Methods The major chemical components of Qingfei Decoction were analyzed and identified by UPLC-Q-Excative Orbitrap-MS.Targets of the identified components were collected using Swisstarget;pneumonia-related targets were retrieved from OMIM,DrugBank,and GeneCards databases.Common targets between the identified components of Qingfei Decoction and pneumonia were screened by taking their intersection.Protein-protein interaction(PPI)network construction and GO/WikiPathways enrichment analyses were performed to identify key signaling pathways involved in Qingfei Decoction's treatment of pneumonia.Results A total of 142 active ingredients were identified from Qingfei Decoction by UPLC-Q-Excative Orbitrap-MS,yielding 200 intersecting targets between the ingredients and pneumonia.Network construction identified 44 potential effective components and 131 key pneumonia-related targets.KEGG pathway enrichment analysis indicated that Qingfei Decoction exerted its anti-pneumonia effects through multiple signaling pathways,including the MAPK3 signaling pathway,EGFR signaling pathway,and LCK signaling pathway,as well as multiple targets such as interleukin-5(IL-5),interleukin-2(IL-2),and thymic stromal lymphopoietin(TSLP).Conclusion The active ingredients in Qingfei Decoction can exert therapeutic effects against pneumonia via multi-pathway and multi-target mechanisms,including immune regulation,anti-inflammatory action,modulation of apoptosis,antiviral effects,and mitigation of pulmonary fibrosis.

关 键 词：UPLC-Q-Excative Orbitrap-MS 清肺汤 肺炎 网络药理学 作用机制 

分 类 号：R284.1[医药卫生—中药学]