【摘要】 目的 运用基因表达数据库（Gene Expression Omnibus,GEO）基因芯片挖掘、生物信息学及分子对接技术，分析艾叶治疗慢性荨麻疹（chronic urticaria,CU）的分子机制。方法 从GEO数据库下载CU的基因芯片数据集，利用R软件筛选出差异表达靶点，从中药系统药理学数据库（Traditional Chinese Medicine Systems Pharmacology Database,TCMSP）、药物靶标识别平台（Pharm Mapper）等数据库获取艾叶的化学成分、药物靶点，运用GENEMANIA平台及R软件，对药物–疾病交集靶点进行蛋白质互作网络（protein-proteininteractionnetworks,PPI）分析、京都基因与基因组百科全书（Kyoto Encyclopedia of Genes and Genome,KEGG）富集分析，使用AutoDock Vina等软件进行分子对接验证。结果 得到CU靶点320个、药物靶点382个，筛选出药物–疾病交集靶点20个；PPI拓扑分析得出的核心靶点有ADAMTS4、FABP7、SRM、PDE5A、SOD2等；相关的化学成分有（2R）-5,7-二羟基-2-(4-羟苯基)、亚油酸乙酯、豆甾醇、槲皮素等；富集出涉及脂质和动脉粥样硬化、长寿调节信号通路、过氧化物酶体增殖活化因子受体（peroxisome proliferator-activated receptor,PPAR）信号通路、白细胞介素（interleukin,IL）-17信号通路、趋化因子信号通路等；9种化学成分与5个核心靶点间的分子对接显示，有40组对接具有结合活性（结合能<–4.25kcal/mol）。结论 艾叶对CU具有多靶点、多成分、多途径的作用机制，通过文献检索及分子对接验证本次分析结果具有可信性，可为后期的实验研究提供参考依据。更多还原

【Abstract】 Objective To analyze the molecular mechanism of Artemisia argyi in the treatment of chronic urticaria(CU) by Gene Expression Omnibus(GEO) gene chip mining, bioinformatics and molecular docking techniques. Methods The gene chip dataset of CU was downloaded from GEO database, the differentially expressed targets were selected using R software, and the chemical composition and drug targets of Artemisia argyi were obtained from Traditional Chinese Medicine Systems Pharmacology Database(TCMSP), PharmMapper and other databases. Used GENEMANIA platform and R software, proteinprotein interaction networks(PPI) topology analysis and Kyoto Encyclopedia of Genes and Genome(KEGG) enrichment analysis were performed for drug-disease intersection targets, and molecular docking validation was performed using AutoDock Vina and other software. Results 320 CU targets and 382 drug targets were obtained, and 20 drug-disease intersection targets were selected; The protein-protein interaction networks core targets obtained by PPI topology analysis were ADAMTS4, FABP7,SRM, PDE5A, SOD2, etc.; The related chemical components were(2R)-5, 7-dihydroxy-2-(4-hydroxyphenyl), ethyl linoleate,stigmasterol, quercetin, etc.; Enriched involving lipids and atherosclerosis, longevity regulatory signaling pathway, peroxisome proliferator-activated receptor(PPAR) signaling pathway, interleukin-17(IL-17) signaling pathway, chemokine signaling pathway,etc.; Molecular docking between 9 chemical components and 5 core targets showed that 40 groups of docking had binding activity(binding energy<–4.25kcal/mol). Conclusion Artemisia argyi has a mechanism of action of multiple targets, multiple components, and multiple pathways on CU, and the credibility of the results of this analysis is verified by literature search and molecular docking, which can provide a reference basis for later experimental studies.更多还原