[1]郭杜鹃,王咏,胡莹,等.基于网络药理学与分子对接探讨瓜蒌薤白半夏汤治疗稳定型心绞痛的作用机制[J].西部中医药,2026,39(08):78-88.[doi:10.12174/j.issn.2096-9600.2026.08.16]
　GUO Dujuan,WANG Yong,HU Ying,et al.Exploring the Mechanism of Action of Gualou Xiebai Banxia Decoction in the Treatment of Stable Angina Pectoris Based on Network Pharmacology and Molecular Docking[J].Western Journal of Traditional Chinese Medicine,2026,39(08):78-88.[doi:10.12174/j.issn.2096-9600.2026.08.16]
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基于网络药理学与分子对接探讨瓜蒌薤白半夏汤治疗稳定型心绞痛的作用机制()

《西部中医药》[ISSN:2096-9600/CN:62-1204/R]

卷:
39
期数:
2026年08期
页码:
78-88
栏目:
二次研究
出版日期:
2026-07-29

文章信息/Info

Title:
Exploring the Mechanism of Action of Gualou Xiebai Banxia Decoction in the Treatment of Stable Angina Pectoris Based on Network Pharmacology and Molecular Docking
作者:
郭杜鹃1, 王咏2, 胡莹2, 曹斌2
1.山东中医药大学，山东 济南 250000
2.山东中医药大学附属医院，山东 济南 250000
Author(s):
GUO Dujuan1, WANG Yong2, HU Ying2, CAO Bin2
1.Shandong University of Traditional Chinese Medicine, Jinan 250000, China
2.Affiliated Hospital to Shandong University of Traditional Chinese Medicine, Jinan 250000, China
关键词:
稳定型心绞痛; 瓜蒌薤白半夏汤; 网络药理学; 分子对接; 作用机制
Keywords:
stable angina pectoris; decoction; network pharmacology; molecular docking; mechanism of action
分类号:
R256.22
DOI:
10.12174/j.issn.2096-9600.2026.08.16
文献标志码:
A
摘要:
目的基于网络药理学与分子对接探讨瓜蒌薤白半夏汤治疗稳定型心绞痛（stable angina pectoris，SAP）的作用机制。 方法从中药系统药理学数据库和分析平台（traditional chinese medicine systems pharmacology database and analysis platform，TCMSP）数据库获取瓜蒌薤白半夏汤中药物的活性成分及预测靶点，在GeneCards、OMIM、PharmGKB、DrugBank、TTD数据库检索与SAP治疗相关的靶点，二者取交集得到交集靶点，绘制“中药-活性成分-靶点”网络图，筛选出核心成分。在STRING数据库获取蛋白相互作用关系，利用Cytoscape构建靶点的相互作用网络，筛选出核心靶点。使用R软件进行基因本体论（gene ontology，GO）功能富集分析及京都基因与基因组百科全书（Kyoto encyclopedia of genes and genomes，KEGG）通路富集分析，利用Cytoscape的Cluego插件进行聚类分析。使用AutoDock Vina软件对核心成分和核心靶点进行分子对接验证。 结果瓜蒌薤白半夏汤治疗SAP涉及32种活性成分、187个靶点，GO富集分析主要涉及活性氧代谢过程、活性氧合成过程、氧化应激反应等；KEGG通路富集主要涉及流体剪切应力与动脉粥样硬化、糖尿病并发症中的晚期糖基化终产物及其受体、缺氧诱导因子-1等信号通路。分子对接显示核心成分与核心靶点结合效果良好。 结论瓜蒌薤白半夏汤通过影响生物的氧化还原等过程，调控流体剪切应力与动脉粥样硬化、糖尿病并发症中的晚期糖基化终产物及其受体、缺氧诱导因子-1等信号通路发挥治疗SAP的作用。
Abstract:
ObjectiveTo discuss the mechanism of action of Gualou Xiebai Banxia Decoction in the treatment of stable angina pectoris (SAP) based on network pharmacology and molecular docking. MethodsThe active components and predicted targets of the Chinese herbal medicines in Gualou Xiebai Banxia Decoction were obtained from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP), and SAP treatment-related targets were retrieved from the GeneCards, OMIM, PharmGKB, DrugBank, and TTD databases to obtain the intersection targets after taking the intersection of the two, to construct "Chinese medicine-active component-target" network diagram, and to screen out the core components. The protein-protein interaction data were obtained from the STRING database, and a target interaction network was constructed using Cytoscape to screen for core targets. Gene Ontology (GO) functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were performed using R software. Cluster analysis was conducted using the ClueGo plugin in Cytoscape. Molecular docking validation between core components and core targets was carried out using AutoDock Vina software. Results Gualou Xiebai Banxia Decoction is involved in the treatment of SAP through 32 active components and 187 targets. GO enrichment analysis primarily involves reactive oxygen species metabolic process, reactive oxygen species biosynthetic process, and oxidative stress response. KEGG pathway enrichment mainly involves fluid shear stress and atherosclerosis, the AGE-RAGE signaling pathway in diabetic complications, and the hypoxia-inducible factor-1 (HIF-1) signaling pathway. Molecular docking showed good binding affinity between the core components and core targets. Conclusion Gualou Xiebai Banxia Decoction exerts its therapeutic effects on SAP by influencing biological processes such as redox reactions and regulating signaling pathways including fluid shear stress and atherosclerosis, the AGE-RAGE signaling pathway in diabetic complications, and HIF-1 signaling pathway.

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备注/Memo

备注/Memo:
山东省自然科学基金（ZR2020QH333）；山东省软科学研究计划项目（2020RKB14186）。郭杜鹃（1996—），女，硕士学位。研究方向：心血管疾病的诊疗及研究。
更新日期/Last Update: 2026-08-15