Department of Traditional Chinese Medicine, Changzheng Hospital, Second Military Medical University, Shanghai 200003, China.
Biomed Res Int. 2022 Aug 5;2022:9498109. doi: 10.1155/2022/9498109. eCollection 2022.
The aim of the study is to investigate the mechanism of action of Disulfiram against colon cancer through a network pharmacology approach. The targets were then imported into the Cytoscape 3.7.2 software to construct a network of active ingredient targets and were imported into the STRING database to construct a protein-protein interaction (PPI) network, and the Bisogenet plug-in in Cytoscape 3.7.2 was used for network topology analysis. Gene ontology (GO) enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis were performed on the potential targets of Yiqi and Baiyu Tang for colon cancer using the R-language Bioconductor platform, and the results were imported into Cytoscape 3.7.2 to obtain KEGG network relationship maps. Molecular docking software Autodock Vina was used to map the core targets to the active ingredients. A total of 119 chemical components and 694 disease targets were obtained, including 113 intersecting targets. The key targets included AKT1 and TP53, and GO functional analysis mainly related to ubiquitination and apoptosis, etc. KEGG analysis showed that the treatment of colon cancer with Ganchenzan mainly acted through cancer-related signaling pathways such as AGE-RAGE and P13K-Akt, and the molecular docking results showed the best binding performance with TP53.
本研究旨在通过网络药理学方法探讨双硫仑（Disulfiram）治疗结肠癌的作用机制。将这些靶点导入 Cytoscape 3.7.2 软件构建活性成分靶点网络，并导入 STRING 数据库构建蛋白质-蛋白质相互作用（PPI）网络，然后使用 Cytoscape 3.7.2 中的 Bisogenet 插件进行网络拓扑分析。使用 R 语言 Bioconductor 平台对益气白鱼汤治疗结肠癌的潜在靶点进行基因本体（GO）富集分析和京都基因与基因组百科全书（KEGG）富集分析，并将结果导入 Cytoscape 3.7.2 以获得 KEGG 网络关系图。使用分子对接软件 Autodock Vina 将核心靶点映射到活性成分上。共获得 119 种化学成分和 694 个疾病靶点，其中包括 113 个交集靶点。关键靶点包括 AKT1 和 TP53，GO 功能分析主要与泛素化和细胞凋亡等有关。KEGG 分析表明，甘陈盏治疗结肠癌主要通过 AGE-RAGE 和 P13K-Akt 等与癌症相关的信号通路发挥作用，分子对接结果显示与 TP53 的结合性能最佳。
