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丹参-莪术药对治疗癌性厌食的作用机制

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目的:运用网络药理学和分子对接研究丹参-莪术治疗癌性厌食(cancer-related anorexia,CA)的作用机制.方法:通过TCMSP数据库、Uniprot数据库、PharmMapper数据库并结合相关文献筛选出靶点基因,并运用Genecards数据库、OMIM数据库对CA的对应靶点进行获取筛选.使用String数据库构建疾病与药物的交集靶点的蛋白互作网络,并将结果导入cytoscape3.8.2软件进行可视化分析.再将从String数据库得出的交集基因通过Metascape数据库进行GO富集分析和KEGG富集通路分析.采用Autodock软件进行分子对接,并利用pymol软件进行可视化处理.结果:共得到丹参靶点126个、莪术靶点54个,共同靶点25个,CA靶点1893个,疾病与药物交集靶点14个.蛋白互作结果显示MAPK1、ESR1为核心靶点.GO富集分析中生物学过程主要涉及细胞对有机环状化合物的反应、类固醇激素介导的信号通路、类固醇激素反应等;KEGG富集通路主要涉及Estrogen signaling pathway、TNF signal-ing pathway等.分子对接显示核心靶点与药物成分具有良好的结合能力.结论:丹参-莪术通过MAPK1、ESR1核心靶点入手,调节Estrogen signaling pathway、TNF signaling pathway等信号通路,达到治疗CA的作用.
Mechanism of Radix Salviae-Curcumae Rhizoma in Treating Cancer-related Anorexia
Objective: Use network pharmacology and molecular docking to study the mechanism of action of Sal-via miltiorrhiza - Curcuma zedoaria in the treatment of cancer-related anorexia (CA). Methods: The target genes were screened out through the TCMSP database, Uniprot database, PharmMapper database and combined with relevant litera-ture, and the Genecards database and OMIM database were used to obtain and screen the corresponding targets of CA. Use the String database to construct a protein interaction network of intersection targets between diseases and drugs, and import the results into cytoscape3.8.2 software for visual analysis. The intersection genes obtained from the String database were then subjected to GO enrichment analysis and KEGG enrichment pathway analysis through the Metascape database. Autodock software was used for molecular docking, and pymol software was used for visualization. Results: A total of 126 Salvia miltiorrhiza targets, 54 Curcuma zedoaria targets, 25 common targets, 1893 CA targets, and 14 disease-drug inter-section targets were obtained. Protein interaction results show that MAPK1 and ESR1 are core targets. Biological processes in GO enrichment analysis mainly involve cell response to organic cyclic compounds, steroid hormone-mediated signaling pathways, steroid hormone responses, etc.; KEGG enrichment pathways mainly involve Estrogen signaling pathway, TNF signaling pathway, etc. Molecular docking shows that the core target has good binding ability with drug ingredients. Con-clusion: Salvia miltiorrhiza and Curcuma zedoaria can treat CA by regulating the Estrogen signaling pathway, TNF signal-ing pathway and other signaling pathways through the core targets of MAPK1 and ESR1.

Salvia miltiorrhizaCurcuma zedoaryaCancer anorexiaNetwork pharmacologyMolecular docking

张甜、宋萌萌、贾文文、乔元勋

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山东中医药大学 山东济南 250014

山东省泰安市中医医院 山东泰安 271000

丹参 莪术 癌性厌食 网络药理学 分子对接

泰安市科技创新发展项目(政策引导类)

2022NS155

2024

中医药临床杂志
中华中医药学会

中医药临床杂志

影响因子:0.636
ISSN:1672-7134
年,卷(期):2024.36(3)
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