College of Traditional Chinese Medicine, Guangdong Pharmaceutical University, Guangdong, China.
Medicine (Baltimore). 2024 Oct 11;103(41):e40065. doi: 10.1097/MD.0000000000040065.
Zhengxintai Formula (ZXT) has shown good effects in the clinical treatment of coronary atherosclerotic heart disease (CHD). However, its potential molecular mechanism for treating coronary heart disease is still unknown. The Traditional Chinese Medicine Systematic Pharmacology Database and Analysis Platform and literature reviews were used to determine the active components and targets of the 6 herbs used in ZXT. Next, we searched disease target databases for targets associated with CHD. Secondly, Cytoscape was used to map the "active compounds-target" network, "protein-protein interaction" network, and "compound-target-disease" network. After that, gene ontology analysis and the pathway analysis by the Kyoto Encyclopedia of Genes and Genomes were performed on the targets. Finally, molecular docking between the compounds and the targets was performed to verify their binding ability. The analysis obtained 116 active compounds of ZXT, corresponding to 611 targets. Thousand three hundred forty-five coronary heart disease targets were collected. Obtained 177 potential ZXT targets for coronary artery disease. Gene ontology analysis yielded 734 biological process entries, 84 cellular component entries, and 122 molecular function entries. Kyoto Encyclopedia of Genes and Genomes pathway analysis revealed the key pathways such as "Fluid shear stress and atherosclerosis," "Lipid and atherosclerosis", and "PI3K-Akt signaling pathway." The molecular docking results showed good binding between each screened core target and the core components. ZXT fulfills its role in the treatment of CHD through the core components and core targets that have been screened out, but the exact process still needs to be further investigated.
正心泰方(ZXT)在冠心病的临床治疗中表现出良好的效果。然而,其治疗冠心病的潜在分子机制尚不清楚。本研究采用中药系统药理学数据库和分析平台以及文献回顾的方法,确定了 ZXT 中 6 种草药的活性成分和作用靶点。其次,我们从疾病靶点数据库中搜索与冠心病相关的靶点。然后,使用 Cytoscape 绘制“活性化合物-靶点”网络、“蛋白质-蛋白质相互作用”网络和“化合物-靶点-疾病”网络。之后,对靶点进行基因本体分析和京都基因与基因组百科全书通路分析。最后,对化合物与靶点进行分子对接,验证其结合能力。该分析获得了 ZXT 的 116 种活性化合物,对应 611 个靶点。共收集到 1345 个冠心病靶点,得到 177 个潜在的 ZXT 治疗冠心病靶点。基因本体分析得到了 734 个生物学过程条目、84 个细胞成分条目和 122 个分子功能条目。京都基因与基因组百科全书通路分析揭示了“流体切应力与动脉粥样硬化”、“脂质与动脉粥样硬化”和“PI3K-Akt 信号通路”等关键通路。分子对接结果表明,筛选出的核心靶点与核心成分之间具有良好的结合能力。ZXT 通过筛选出的核心成分和核心靶点在治疗冠心病中发挥作用,但确切的作用机制仍需进一步研究。