Abstract：
Coronary spastic angina (CSA) is common, and treatment options for refractory vasospastic angina are sometimes limited. Guizhifuling pills (GFP) have demonstrated efficacy in reducing CSA episodes, but their pharmacological mechanism remains unclear. To explore the mechanism of action of GFP in preventing and treating CSA, we employed network pharmacology and molecular docking to predict targets and analyze networks. We searched GFP chemical composition information and related targets from databases. The drug-target and drug-target pathway networks were constructed using Cytoscape. Then the protein-protein interaction was analyzed using the STRING database. Gene Ontology biological functions and Kyoto Encyclopedia of Genes and Genomes pathways were performed by the Metascape database, and molecular docking validation of vital active ingredients and action targets of GFP was performed using AutoDock Vina software. The 51 active components in GFP are expected to influence CSA by controlling 279 target genes and 151 signaling pathways. Among them, 6 core components, such as quercetin, β-sitosterol, and baicalein, may regulate CSA by affecting 10 key target genes such as STAT3, IL-6, TP53, AKT1, and EGFR. In addition, they are involved in various critical signaling pathways such as apelin, calcium, advanced glycation end product-receptor for advanced glycation end product, and necroptosis. Molecular docking analysis confirms favorable binding interactions between the active components of GFP and the selected target proteins. The effects of GFP in treating CSA involve multiple components, targets, and pathways, offering a theoretical basis for its clinical use and enhancing our understanding of how it works.
摘要：
冠状动脉痉挛型心绞痛（CSA）很常见，难治性血管痉挛型心绞痛的治疗选择有时有限。桂枝茯苓丸（GFP）已证明在减少CSA发作方面的功效，但其药理机制尚不清楚。探讨GFP防治CSA的作用机制,我们采用网络药理学和分子对接来预测靶点和分析网络.我们从数据库中搜索了GFP化学成分信息和相关靶标。使用Cytoscape构建药物-靶标和药物-靶标途径网络。然后使用STRING数据库分析蛋白质-蛋白质相互作用。基因本体论生物学功能和京都百科全书的基因和基因组途径由Metascape数据库进行，使用AutoDockVina软件对GFP的重要活性成分和作用靶标进行分子对接验证。GFP中的51个活性成分有望通过控制279个靶基因和151个信号通路来影响CSA。其中,6个核心部件，比如槲皮素,β-谷甾醇，还有黄芩素,可能通过影响STAT3、IL-6、TP53、AKT1和EGFR等10个关键靶基因来调控CSA。此外,它们参与各种关键的信号通路，如apelin，钙，晚期糖基化终产物-晚期糖基化终产物受体，和坏死。分子对接分析证实了GFP活性组分与所选靶蛋白之间的有利结合相互作用。GFP在治疗CSA中的作用涉及多种成分，目标,和路径，为其临床使用提供理论基础，并增强我们对其工作原理的理解。
