网络药理学预测黄芩-虎杖抗慢性支气管炎潜在有效成分及作用机制

doi:10.3760/cma.j.issn.1007-1245.2024.20.006

国际医药卫生导报 ›› 2024, Vol. 30 ›› Issue (20): 3373-3379.DOI: 10.3760/cma.j.issn.1007-1245.2024.20.006

网络药理学预测黄芩-虎杖抗慢性支气管炎潜在有效成分及作用机制

赵博¹ 石晓琳¹ 李思维¹ 薛彩琴¹ 邢甜¹ 高萍¹ 李敏²

¹西北妇女儿童医院药剂科，西安　710061；²陕西中医药大学药学院，咸阳　712046

收稿日期:2024-05-29 出版日期:2024-10-01 发布日期:2024-10-18
通讯作者: 李敏，Email：413159921@qq.com
基金资助:
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）

Network pharmacology predicting the potential active ingredients and mechanism of Scutellaria baicalensis-Polygonum cuspidatum against chronic bronchitis

Zhao Bo¹, Shi Xiaolin¹, Li Siwei¹, Xue Caiqin¹, Xing Tian¹, Gao Ping¹, Li Min²

¹Department of Pharmacy, Northwest Women's and Children's Hospital, Xi'an 710061, China; ²College of Pharmacy, Shaanxi University of Chinese Medicine, Xianyang 712046, China

Received:2024-05-29 Online:2024-10-01 Published:2024-10-18
Contact: Li Min, Email: 413159921@qq.com
Supported by:
National Natural Science Foundation (81303243); Shaanxi Provincial Education Department Project (20JC012); Xianyang Science and Technology Research and Development Program (S2023-ZDYF-SF-2249)

摘要/Abstract

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。

关键词:

慢性支气管炎, 黄芩-虎杖, 作用机制, 网络药理学

Abstract:

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.

Key words:

Chronic bronchitis, Scutellaria baicalensis-Polygonum cuspidatum, Mechanism of action, Network pharmacology

赵博石晓琳李思维薛彩琴邢甜高萍李敏.

网络药理学预测黄芩-虎杖抗慢性支气管炎潜在有效成分及作用机制 [J]. 国际医药卫生导报, 2024, 30(20): 3373-3379.

Zhao Bo, Shi Xiaolin, Li Siwei, Xue Caiqin, Xing Tian, Gao Ping, Li Min.

Network pharmacology predicting the potential active ingredients and mechanism of Scutellaria baicalensis-Polygonum cuspidatum against chronic bronchitis [J]. International Medicine and Health Guidance News, 2024, 30(20): 3373-3379.

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网络药理学预测黄芩-虎杖抗慢性支气管炎潜在有效成分及作用机制

Network pharmacology predicting the potential active ingredients and mechanism of Scutellaria baicalensis-Polygonum cuspidatum against chronic bronchitis

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