西帕依固龈液成分鉴定及其治疗复发性阿弗他溃疡作用机制的网络药理学研究  

Identification of Chemical Components of Xipayi Mouth Rinse Fluid and Its Mechanism in the Treatment of Recurrent Aphthous Ulcer Based on Network Pharmacology

作　　者：马璇 范晨阳 季志红 李柯翱 聂继红[3] MA Xuan;FAN Chenyang;JI Zhihong;LI Ke'ao;NIE Jihong(School of Pharmacy,Xinjiang Medical University,Urumqi,Xinjiang,China 830011;New Cicon Pharmaceutical Co.,Ltd.,Urumqi,Xinjiang,China 830011;Department of Pharmacy,The Affiliated Hospital of Traditional Chinese Medicine of Xinjiang Medical University,Urumqi,Xinjiang,China 830000)

机构地区：[1]新疆医科大学药学院,新疆乌鲁木齐830011 [2]新奇康药业股份有限公司,新疆乌鲁木齐830011 [3]新疆医科大学附属中医医院,新疆乌鲁木齐830000

出　　处：《中国药业》2022年第2期41-45,共5页China Pharmaceuticals

基　　金：新疆维吾尔自治区药学会科研基金[YXH201903]。

摘　　要：目的鉴定西帕依固龈液的化学成分,探讨其治疗复发性阿弗他溃疡(RAU)的作用机制。方法采用超高效液相色谱串联四极杆飞行时间质谱法分析西帕依固龈液的化学成分。利用文献挖掘及查询中药系统药理学数据库与分析平台(TCMSP)和比较药理学(CTD)数据库,筛选处方有效成分及各药物的作用靶点。通过GEO,DisGeNET,Human Phenothpe Ontology,DrugBank数据库获取RAU疾病靶点。取药物-疾病交集靶点,使用Cytoscape 3.7.2软件构建复方靶点网络,对核心靶点进行基因本体论(GO)富集分析和京都基因与基因组百科全书(KEGG)通路分析。结果共获得没食子酸等11个化学成分的914个靶点,RAU的206个疾病靶点,肿瘤坏死因子(TNF)、γ干扰素(IFN-γ)等33个交集靶点;GO富集分析得到脂多糖的反应、对细菌来源分子的反应等920项,其中生物过程877项,细胞成分10项,分子功能33项;KEGG通路分析得到核因子(NF)-κB、低氧诱导因子-1(HIF-1)、程序性坏死、细胞因子-细胞因子受体相互作用等12条信号通路。结论西帕依固龈液所含没食子酸等核心成分能作用于TNF及IFN-γ等基因,继而调控NF-κB及HIF-1等多条信号通路,从而发挥治疗RAU的作用。Objective To identify the chemical components of Xipayi Mouth Rinse Fluid,and to investigate its mechanism in the treatment of recurrent aphthous ulcer(RAU).Methods Ultra-high-performance liquid chromatography-tandem quadrupole timeof-flight mass spectrometry(UHPLC-Q-TOF-MS/MS) was used to analyze the chemical components of Xipayi Mouth Rinse Fluid.The literature was mined and the database of the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP) and Comparative Toxicogenomics Database(CTD) was searched to screen the effective components of the prescription and the action targets of each Chinese herbal medicine.RAU disease targets were obtained from GEO,DisGeNET,Human Phenothpe Ontology and DrugBank databases.The drug-disease intersection target was taken to construct the compound target network by the Cy to scape 3.7.2 software,Gene Ontology(GO) enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG) pathway analysis were conducted on the core target.Results A total of 914 targets of 11 chemical components such as gallic acid,206 disease targets of RAU,and 33 intersection targets such as tumor necrosis factor(TNF) and interferon γ(IFN-γ) were obtained.A total of 920 items such as response to lipopolysaccharide and response to molecule of bacterial origin were obtained by GO enrichment analysis,including 877 biological processes,10 cellular components and 33 molecular functions.Twelve signal pathways such as nuclear factor(NF)-κB,hypoxia inducible factor-1(HIF-1),programmed necrosis and cytokinecytokine receptor interaction were obtained by KEGG pathway analysis.Conclusion Core components such as gallic acid in Xipayi Mouth Rinse Fluid can act on TNF,IFN-γ and other genes,and then regulate NF-κB,HIF-1 and other signaling pathways,so as to play a role in the treatment of RAU.

关 键 词：网络药理学 超高效液相色谱串联四极杆飞行时间质谱法 复发性阿弗他溃疡 西帕依固龈液 作用机制 

分 类 号：R965[医药卫生—药理学] R988.2[医药卫生—药学]