摘要
目的:采用超高效液相色谱法-串联质谱(UPLC-MS/MS)技术系统研究复方感冒灵颗粒药效物质成分及体内代谢谱,并结合网络药理学探讨发挥药效的作用机制。方法:采用UPLC-MS/MS法对复方感冒灵颗粒主要化学成分以及入血成分进行鉴定。采用网络药理学的方法构建“成分-靶点-功效-疾病”网络,通过蛋白质-蛋白质相互作用(PPI)网络筛选核心靶点,进行基因本体(GO)功能富集分析和京都基因与基因组百科全书(KEGG)通路富集分析。结果:从复方感冒灵颗粒醇提物中共鉴别出170个化合物和21个入血成分,构建了复方感冒灵颗粒成分谱及代谢谱。预测核心靶点为肿瘤坏死因子(TNF)、血管内皮生长因子A(VEGFA)、表皮生长因子受体(EGFR)、胱天蛋白酶3(CASP3)、前列腺素内过氧化物合酶2(PTGS2)、促分裂原活化的蛋白激酶1(MAPK1)、信号转导及转录激活因子3(STAT3)、基质金属蛋白酶9(MMP9)、白细胞介素-2(IL-2)以及促分裂原活化的蛋白激酶14(MAPK14),与解热、抗炎与抗病毒功效对应。结论:本研究采用UPLC-MS/MS技术构建了复方感冒灵颗粒的物质成分谱及体内代谢谱,从网络药理学角度阐明复方感冒灵多成分、多靶点的整体调节特点,初步揭示解热、抗炎与抗病毒的物质基础和作用机制,为复方感冒灵的深入研究奠定了基础。
Objective:To systematically study the medicinal substances and in vivo metabolism spectrum of Compound Ganmaoling Granules by ultra-high performance liquid chromatography-tandem mass spectrometry(UPLC-MS/MS),and to explore its mechanism in combination with network pharmacology.Methods:UPLC-MS/MS method was used to identify the main chemical components of Compound Ganmaoling Granules and the components absorbed in blood.Network pharmacology was used to construct the“component-target-efficacy-disease”network,and core targets were screened via protein-protein interaction(PPI)network for gene ontology(GO)and Kyoto Encyclopedia of Gene and Genome(KEGG)pathway enrichment analysis.Results:A total of 170 compounds and 21 components absorbed in blood were identified from the ethanol extract of Compound Ganmaoling Granules to construct the component spectrum and metabolism spectrum.The predicted core targets were tumor necrosis factor(TNF),vascular endothelial growth factor A(VEGFA),epidermal growth factor receptor(EGFR),Caspase 3(CASP3),prostaglandin-peroxidase synthase 2(PTGS2),mitogen-activated protein kinase 1(MAPK1),signal transducer and activator of transcription 3(STAT3),matrix metalloproteinase 9(MMP 9),interleukin-2(IL-2)and mitogen-activated protein kinase 14(MAPK14),corresponding to antipyretic,anti-inflammatory and antiviral effects.Conclusion:This study constructed the component spectrum and in vivo metabolism spectrum of Compound Ganmaoling Granules using UPLC-MS/MS,and clarified its overall regulation by multiple components and targets from the perspective of network pharmacology,which preliminary reveals the antipyretic,anti-inflammatory and antiviral basis and mechanism,laying a foundation for the in-depth study of Compound Ganmaoling.
作者
刘黎明
戴玉豪
杨维
符国成
龚小兵
刘陈
吴文洁
陈海刚
李韶菁
LIU Liming;DAI Yuhao;YANG Wei;FU Guocheng;GONG Xiaobing;LIU Chen;WU Wenjie;CHEN Haigang;LI Shaojing(Institute of Chinese Materia Medica,China Academy of Chinese Medical Sciences,Beijing 100010,China;China Resources Sanjiu(Chenzhou)Pharmaceutical Co.,Ltd.,Chenzhou 423000,China;Anhui University of Chinese Medicine,Hefei 230000,China)
出处
《世界中医药》
CAS
2022年第21期2998-3005,共8页
World Chinese Medicine
基金
国家科技重大专项(2019ZX09201-004)
国家重点研发计划项目(2017YFC1701900)。
