摘要
目的网络药理学预测黄芩-虎杖抗慢性支气管炎(CB)潜在有效成分及作用机制。方法在中药系统药理数据库与分析平台(TCMSP)以黄芩、虎杖为关键词检索潜在的生物活性成分,筛选标准为口服生物利用度(OB)≥30%、类药性(DL)≥0.18。以“慢性阻塞性肺疾病”“慢性支气管炎”为检索词从OMIM和GeneCards数据库中收集经人工确认的CB疾病靶点,检索时限从建库到2024年4月。利用STRING数据库获取蛋白互作(PPI)网络;David数据库进行基因本体(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,利用Cytoscape 3.8.0软件绘制药物-成分-靶点图、成分-靶点-通路图。结果通过TCMSP数据筛选及补充关键化合物,共获得黄芩-虎杖活性成分23个,作用靶点258个;在GeneCards和OMIM数据库检索疾病靶点,删除重复值后得到668个靶点,得到交集靶点80个;PPI网络分析确定TNF、IL-6、JUN、IL-1β、AKT1、VEGFA、TP53、CASP3、IL-10、CXCL8等为核心靶点;GO功能富集分析发现黄芩-虎杖抗CB的生物过程主要涉及炎症反应、氧化应激、细胞凋亡、血管生成和细胞自噬;KEGG通路富集分析发现黄芩-虎杖抗CB的通路可能涉及PI3K-AKT、TNF、IL-17和凋亡信号通路等。反向筛选有效成分结果显示,黄芩中野黄芩苷、汉黄芩素、黄芩苷和虎杖中槲皮素、虎杖苷、大黄素有效成分度值均较高。结论黄芩-虎杖抗CB潜在活性成分涉及野黄芩苷、黄芩苷、汉黄芩素、虎杖苷和大黄素等,作用机制可能通过调控PI3K-AKT、TNF、IL-17和凋亡信号通路,进而减轻炎症反应、改善细胞凋亡,促进细胞自噬发挥治疗作用。
Objective To predict the potential active ingredients and mechanism of Scutellaria baicalensis-Polygonum cuspidatum against chronic bronchitis(CB)by network pharmacology.Methods The active ingredients were searched in the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP)with Scutellaria baicalensis and Polygonum cuspidatum as keywords,and the screening criteria were oral bioavailability(OB)≥30%and drug-like(DL)≥0.18.Using"chronic obstructive pulmonary disease"and"chronic bronchitis"as search terms,the CB disease targets were manually identified from OMIM and GeneCards databases from the establishment of the databases to April 2024.The protein-protein interaction(PPI)network was obtained by using the STRING database.David database was used for gene ontology(GO)functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis,and Cytoscape 3.8.0 software was used to draw"drug-component-target-map"and"component-target-pathway map".Results A total of 23 active ingredients and 258 targets of Scutellaria baicalensis-Polygonum cuspidatum were obtained through TCMSP data screening and supplementation of key compounds.Disease targets were retrieved in GeneCards and OMIM databases,and 668 targets were obtained after deduplication and 80 intersecting targets were obtained.The core targets including TNF,IL-6,JUN,IL-1β,AKT1,VEGFA,TP53,CASP3,IL-10,and CXCL8 were determined by PPI network analysis.GO functional enrichment analysis showed that the biological processes of anti-CB of Scutellaria baicalensis-Polygonum cuspidatum mainly involved inflammatory response,oxidative stress,apoptosis,angiogenesis,and autophagy.KEGG pathway enrichment analysis showed that the anti-CB pathway of Scutellaria baicalensis-Polygonum cuspidatum might involve PI3K-AKT signaling pathway,TNF signaling pathway,IL-17 signaling pathway,cellular senescence,and so on.Conclusion The potential active ingredients of Scutellaria baicalensis-Polygonum cuspidatum anti-CB include scutellarin,baicalin,wogonin,polydatin,and emodin,and the mechanism of action may play a therapeutic role by regulating PI3K-AKT signaling pathway,TNF signaling pathway,and IL-17 signaling pathway,thereby reducing inflammatory response,improving apoptosis,and promoting autophagy.
作者
赵博
石晓琳
李思维
薛彩琴
邢甜
高萍
李敏
Zhao Bo;Shi Xiaolin;Li Siwei;Xue Caiqin;Xing Tian;Gao Ping;Li Min(Department of Pharmacy,Northwest Women's and Children's Hospital,Xi'an 710061,China;College of Pharmacy,Shaanxi University of Chinese Medicine,Xianyang 712046,China)
出处
《国际医药卫生导报》
2024年第20期3373-3379,共7页
International Medicine and Health Guidance News
基金
国家自然科学基金(81303243)
陕西省教育厅项目(20JC012)
咸阳市科学技术研究与发展计划(S2023-ZDYF-SF-2249)。
关键词
慢性支气管炎
黄芩-虎杖
作用机制
网络药理学
Chronic bronchitis
Scutellaria baicalensis-Polygonum cuspidatum
Mechanism of action
Network pharmacology
