基于超高效液相色谱-四极杆-飞行时间质谱法和网络药理学的沉香化气片改善胃动力障碍作用机制研究  

Mechanism of Chenxiang Huaqi Tablets in Improving Gastric Motility Disorders Based on UPLC-Q-TOF-MS Combined with Network Pharmacology

作　　者：苏泰安 刘超 吴大章 SU Tai'an;LIU Chao;WU Dazhang(Taiji Group Chongqing Tongjunge Pharmaceutical Co.,Ltd.,Chongqing,China 401366;Zunyi Medical University,Zunyi,Guizhou,China 563099)

机构地区：[1]太极集团重庆桐君阁药厂有限公司,重庆401366 [2]遵义医科大学,贵州遵义563099

出　　处：《中国药业》2023年第11期27-33,共7页China Pharmaceuticals

基　　金：国家重点研发计划课题[2018YFC1706402]。

摘　　要：目的探讨沉香化气片改善胃动力障碍的作用机制。方法根据超高效液相色谱-四极杆-飞行时间质谱法(UPLC-QTOF-MS)的一级质谱和二级质谱信息,结合文献和TCMSP数据库数据,对沉香化气片活性成分进行指认。基于这些成分,结合PharmMapper,Uniport等数据库筛选沉香化气片活性成分改善胃动力障碍的潜在作用靶点,通过String数据库构建蛋白-蛋白相互作用(PPI)网络;通过David数据库实现京都基因与基因组百科全书(KEGG)信号通路和基因本体论(GO)功能富集分析;采用Cytoscape3.7.2软件进行可视化分析。结果UPLC-Q-TOF-MS技术共筛选得255个化学成分,TCMSP数据库筛选出101个交集成分,其中槲皮素、木犀草素、山柰酚、甘草查尔酮A、葛花苷元、柚皮素、芒柄花黄素、川陈皮素、异鼠李素为沉香化气片改善胃动力障碍的关键成分;前列腺素内过氧化物合酶2(PTGS2)、雌激素受体1(ESR1)、一氧化氮合酶2(NOS2)、过氧化物酶体增殖物激活受体(PPARG)、肿瘤坏死因子(TNF)、白细胞介素6(IL-6)、丝氨酸/苏氨酸蛋白激酶1(AKT1)、信号转导及转录激活因子3(STAT3)、白细胞介素1β(IL-1β)、血管内皮生长因子受体A(VEGFA)、表皮生长因子受体(EGFR)、促分裂原活化蛋白激酶1(MAPK1)等为沉香化气片改善胃动力障碍的关键靶点,作用机制可能涉及缺氧诱导因子1(HIF-1)信号通路、信号通路、结核等。结论沉香化气片通过多成分、多靶点、多通路可缓解肠胃气机不畅的症状,为深入阐明沉香化气片作用机制及其临床应用提供了参考。Objective To investigate the mechanism of Chenxiang Huaqi Tablets in improving gastric motility disorders.Methods According to the primary mass spectrometry and secondary mass spectrometry information by the ultra-performance liquid chromatography-tandem mass spectrometry(UPLC-Q-TOF-MS/MS)method,the active components of Chenxiang Huaqi Tablets were identified based on literature and data from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP).Based on these active components,combined with databases such as PharmaMapper and Uniprot,the potential targets of active components of Chenxiang Huaqi Tablets for the improvement of gastric motility disorders were screened,and the protein-protein interaction(PPI)network was constructed by the String database.The Kyoto Encyclopedia of Genes and Genomes(KEGG)signal pathway and Gene Ontology(GO)function enrichment analysis were conducted through David database.Cytoscape 3.7.2 software was adopted for visual analysis.Results A total of 255 chemical components were screened by the UPLC-Q-TOF-MS method,and 101 intersecting components were identified through the TCMSP database.Among them,quercetin,luteolin,kaempferol,licochalcone A,irisolidone,naringenin,formononetin,nobiletin,isorhamnetin were key components of Chenxiang Huaqi Tablets in improving gastric motility disorder.Prostaglandin endoperoxide synthase 2(PTGS2),estrogen receptor 1(ESR1),nitric oxide synthase 2(NOS2),peroxisome proliferator activated receptor gamma(PPARG),tumor necrosis factor(TNF),interleukin-6(IL-6),serine/threonine protein kinase(AKT1),signal transducer and activator of transcription 3(STAT3),interleukin-1β(IL-1β),vascular endothelial growth factor receptor A(VEGFA),epidermal growth factor receptor(EGFR),and mitogen activated protein kinase 1(MAPK1)were the key targets of Chenxiang Huaqi Tablets in improving gastric motility disorders.The mechanism of Chenxiang Huaqi Tablets might also involve hypoxia inducible factor 1(HIF-1)signaling pathway,tumor necrosis fact

关 键 词：沉香化气片 超高效液相色谱-四极杆-飞行时间质谱法 网络药理学 胃动力障碍 作用机制 

分 类 号：R932[医药卫生—生药学] R285.5[医药卫生—药学]