| 梁婉君1，赵惠芳1，黄小刚1，熊坚2，蒋晶1，叶彬彬1，刘佳敏1，韦雅婷1，赵立春1▲.基于网络药理学和分子对接探讨鼻炎数据挖掘核心方苍耳子散作用机制[J].中国医药科学,2023,(19):23-27 基金项目:国家自然科学基金（82160775）；国家青年岐黄学者支持项目（国中医药人教发〔2020〕7号）；广西壮族自治区大学生创新创业训练计划项目（S202210600058；S202210600043；S202210600095；S202210600065；S202210600137） |
| 基于网络药理学和分子对接探讨鼻炎数据挖掘核心方苍耳子散作用机制 |
| Exploration of the mechanism of Cang Er Zi San, the core prescription of rhinitis data mining, based on network pharmacology and molecular docking |
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| DOI： |
| 中文关键词: 鼻炎；苍耳子散；网络药理学；分子对接 |
| 英文关键词:Rhinitis; Cang Er Zi San; Network pharmacology; Molecular docking |
| 作者 | 单位 | | 梁婉君1，赵惠芳1，黄小刚1，熊坚2，蒋晶1，叶彬彬1，刘佳敏1，韦雅婷1，赵立春1▲ | 1.广西中医药大学，广西南宁 530000；2.成都中医药大学，四川成都 610075 |
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| 中文摘要: |
| [摘要] 目的 基于网络药理学和分子对接技术探究苍耳子散（CRZS）治疗异质性鼻炎的作用机制以及“多成分-多靶点-多通路”的整体药理作用特征。 方法 利用中药系统药理学数据库与分析平台（TCMSP）检索CRZS的活性成分及靶点；从GeneCards、DisGeNET、Phenopedia、TTD和PharmGKB数据库获取相关鼻炎的基因。通过STRING数据库与Cytoscape软件构建蛋白质-蛋白质相互作用（PPI）网络；利用STRING数据库对核心基因进行基因本体论（GO）富集分析和京都基因与基因组百科全书（KEGG）通路富集分析。通过Cytoscape软件构建“中药成分-靶点-信号通路”网络并筛选核心靶点；采用AutoDock软件对筛选得到的关键通路靶点进行分子对接。 结果 CRZS有131个核心基因，鼻炎相关靶点756个，交集靶点41个。GO生物富集条目2005条，KEGG通路富集条目151条，HIF-1、Lipid and atherosclerosis、Fluid shear stress and atherosclerosis等通路最具连接可能。分子对接显示，CEZS靶点的有效成分与3个核心基因连接紧密。 结论 CEZS可通过多成分、多靶点，多信号通路发挥治疗鼻炎的作用，其中最有可能通过HIF-1、lipid and atherosclerosis、Fluid shear stress and atherosclerosis等3条通路进行调控。 |
| 英文摘要: |
| [Abstract] Objective To explore the mechanism of Cang Er Zi San (CRZS) in treating heterogeneous rhinitis and the overall pharmacological action characteristics of "multi components-multi targets-multi pathways" based on network pharmacology and molecular docking technology. Methods The active ingredients and targets of CRZS were searched by using the traditional Chinese medicine systems pharmacology database and analysis platform (TCMSP). The genes related to rhinitis were obtained from GeneCards, DisGeNET, Phenopedia, TTD, and PharmGKB databases. The protein-protein interaction (PPI) networks were built using the STRING database and Cytoscape software. Gene ontology (GO) analysis and Kyoto encyclopedia of genes and genomes (KEGG) pathway enrichment analysis of core genes were performed using the STRING database. The "Traditional Chinese Medicine Component-Target-Signal Pathway" network was built using Cytoscape software and core targets were screened. AutoDock software was used to perform molecular docking on the selected key pathway targets. Results CRZS had 131 core genes, 756 rhinitis-related targets, and 41 intersection targets. There were 2005 GO bioaccumulation entries, 151 KEGG pathway enrichment entries, and pathways such as HIF-1, Lipid and atherosclerosis, Fluid shear stress and atherosclerosis were the most likely to connect. Molecular docking showed that the active ingredient of the CEZS target was closely linked to three core genes. Conclusion CEZS can exert its therapeutic effect on rhinitis through multiple components, targets, and signaling pathways, most likely regulated by three pathways of HIF-1, Lipid and atherosclerosis, Fluid shear stress and atherosclerosis. |
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