| 摘要: |
| 目的:基于网络药理学和分子对接技术,探讨釜底抽薪散治疗儿童急性上呼吸道感染发热的分子机制。方法:通过中药
系统药理学数据库和分析平台(TCMSP)检索釜底抽薪散各组成药物的化学成分及靶点;通过在线人类孟德尔遗传( OMIM)、
GeneCards 等数据库查找急性上呼吸道感染发热的疾病靶点;通过STRING 数据库绘制蛋白相互作用(PPI)网络,筛选出核心靶
点;通过DAVID 数据库对核心靶点进行基因本体(GO)和京都基因与基因组百科全书(KEGG)通路富集分析;采用AutoDock 软
件进行活性成分与靶点的分子对接验证。结果:共检索到釜底抽薪散活性成分61 个,成分相关靶点211 个,急性上呼吸道感染
发热相关靶点3 874 个,映射后获得潜在靶点131 个。分析后最终获得釜底抽薪散治疗急性上呼吸道感染发热的主要活性成分
(槲皮素、β-谷甾醇、异鼠李素、小檗碱、芦荟大黄素、黄藤素等) 和27 个核心靶点。GO 功能富集分析得到GO 条目287 个,
KEGG 通路富集筛选得到62 个信号通路,主要涉及炎症、病毒感染相关信号通路。分子对接显示槲皮素、β-谷甾醇等主要成分
与关键靶点结合稳定。结论:釜底抽薪散通过多组分、多靶点及多通路协调作用治疗儿童急性上呼吸道感染发热,方中槲皮素、
β-谷甾醇等成分可与AKT1、白细胞介素(IL)-6、IL-1β 等多个靶点结合,通过肿瘤坏死因子(TNF)、IL-17、低氧诱导因子-1(HIF-1)、
丝裂原活化蛋白激酶(MAPK)等信号通路调控炎症反应、抗病毒等生物学过程发挥治疗作用。 |
| 关键词: 釜底抽薪散 急性上呼吸道感染 发热 网络药理学 分子对接技术 |
| DOI：doi:10.13407/j.cnki. jpp.1672-108X.2024.11.004 |
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| 基金项目:基金项目:山东省中医药科技发展计划项目,编号2021Q128;山东省医药卫生科技发展计划项目,编号202006011438。 |
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| Mechanism of Fudi Chouxin Powder in the Treatment of Acute Upper Respiratory Tract Infection withFever in Children Based on Network Pharmacology and Molecular Docking Technology |
| Song Junya, Wang Yan, Li Shengnan, Yao Yuehua, Zhao Xibin, Jiang Ning |
| (Shandong Provincial Maternal and Child
Health Care Hospital Affiliated to Qingdao University, Jinan 250014, China) |
| Abstract: |
| Objective: To explore the molecular mechanism of Fudi Chouxin powder in the treatment of acute upper respiratory tract
infection with fever in children based on network pharmacology and molecular docking. Methods: The chemical components and targets of Fudi Chouxin powder were screened by Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform
(TCMSP). The disease targets of acute upper respiratory tract infection with fever were searched through Online Mendelian Inheritance
in Man (OMIM), GeneCards and other databases. The protein-protein interaction (PPI) network was plotted by STRING database and
the core target was screened out. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment
analysis were performed for core targets by using the DAVID database. AutoDock software was used to verify the molecular docking
between the active components and targets. Results: A total of 61 active components were selected, including 211 components related
targets, 3,874 acute upper respiratory tract infection with fever related targets, and 131 potential targets were obtained after mapping.
The main active components (quercetin, β-sitosterol, isorhamnetin, berberine, aloe-emodin and palmatine) and 27 core targets of Fudi
Chouxin powder in the treatment of acute upper respiratory tract infection with fever were finally obtained. Totally 287 items were
obtained by GO functional enrichment analysis, and 62 signal pathways were obtained by KEGG pathway enrichment screening, mainly
including inflammation and viral infection related signaling pathways. Molecular docking showed that quercetin, β-sitosterol and other
major components bound to the receptor stably. Conclusion: Fudi Chouxin powder can treat acute upper respiratory tract infection with
fever through multi-component, multi-target and multi-pathway coordination. The active components, such as quercetin, β-sitosterol,
can bind to AKT1, interleukin-6 (IL)-6, IL-1β and other targets, through tumor necrosis factor (TNF), IL-17, hypoxic-induced-factor-1
(HIF-1), mitogen-activated protein kinase (MAPK) and other signaling pathways to regulate inflammatory response, antiviral and other
biological processes to play its therapeutic role. |
| Key words: Fudi Chouxin powder acute upper respiratory tract infection fever network pharmacology molecular docking technology |
