Zhang Fan, Liu Yue, Zheng Sicheng, Dang Boyi, Wang Jianan, Zhang Zhe
Affiliated Hospital of Liaoning University of Traditional Chinese Medicine, Shenyang, Liaoning 110847, China.
Liaoning University of Traditional Chinese Medicine, Shenyang, Liaoning 110847, China.
Evid Based Complement Alternat Med. 2020 Dec 29;2020:1062325. doi: 10.1155/2020/1062325. eCollection 2020.
This study aimed to investigate the potential targets and pathways of qi-replenishing, spleen-strengthening, phlegm-dispelling, and blood-nourishing Fufang in the treatment of coronary heart disease (CHD). The composition of Fufang was identified, followed by screening of the active components using ADME. The targets of active components were predicted and screened based on the TCMSP and BATMAN databases and were cross-validated using the CTD database and DisGeNET. A functional enrichment analysis was performed using the ClueGO + CluePedia plugins and clusterProfiler in the R package. The protein-protein interaction (PPI) network was constructed using the STRING database and Cytoscape. Finally, a pharmacological network was constructed. A total of 27 overlapping targets were obtained after cross-validation. ALB, IL-6, and TNF were the hub genes in the PPI network. The pharmacological network included 59 nodes and 189 relation pairs. Among the 59 nodes, there were 2 herbal medicine nodes ( and ), 8 chemical component nodes (magnesium lithospermate B, neocryptotanshinone II, heteratisine, daphneolone, tanshinone IIA, tanshinone IIB, soyasapogenol B, and astragaloside II), 27 target protein nodes (such as ALB, TNF, IL-6, NFKB1, APOA1, APOA2, CYP1A1, and CYP1A2), and 22 pathway nodes (such as the toll-like receptor signaling pathway, IL-17 signaling pathway, and TNF signaling pathway). Therefore, we found that the genes TNF, IL-6, NFKB1, ALB, CYP1A1, CYP1A2, APOA1, and APOA2 might be important targets of the key active compounds neocryptotanshinone II and astragaloside II. These genes targeted by the key active compounds might regulate inflammation-related pathways and the level of albumin and cholesterol in CHD.
本研究旨在探讨益气健脾、化痰养血复方治疗冠心病（CHD）的潜在靶点和途径。确定复方的组成，然后使用ADME筛选活性成分。基于中药系统药理学数据库与分析平台（TCMSP）和中药系统药理学数据库（BATMAN）数据库预测并筛选活性成分的靶点，并使用比较毒理基因组学数据库（CTD）和疾病基因数据库（DisGeNET）进行交叉验证。使用R包中的ClueGO + CluePedia插件和clusterProfiler进行功能富集分析。使用STRING数据库和Cytoscape构建蛋白质-蛋白质相互作用（PPI）网络。最后，构建药理网络。交叉验证后共获得27个重叠靶点。白蛋白（ALB）、白细胞介素-6（IL-6）和肿瘤坏死因子（TNF）是PPI网络中的枢纽基因。药理网络包括59个节点和189个关系对。在这59个节点中，有2个草药节点（和），8个化学成分节点（紫草酸镁B、新隐丹参酮II、异atisine、瑞香毒素、丹参酮IIA、丹参酮IIB、大豆皂醇B和黄芪甲苷II），27个靶蛋白节点（如ALB、TNF、IL-6、核因子κB亚基1（NFKB1）、载脂蛋白A1（APOA1）、载脂蛋白A2（APOA2）、细胞色素P450 1A1（CYP1A1）和细胞色素P450 1A2（CYP1A2）），以及22个通路节点（如Toll样受体信号通路、IL-17信号通路和TNF信号通路）。因此，我们发现基因TNF、IL-6、NFKB1、ALB、CYP1A1、CYP1A2、APOA1和APOA2可能是关键活性化合物新隐丹参酮II和黄芪甲苷II的重要靶点。这些关键活性化合物靶向的基因可能调节冠心病中与炎症相关的通路以及白蛋白和胆固醇水平。
