56651China Pharmaceutical University, Nanjing, China.
Jiangxi University of Chinese Medicine, Nanchang, China.
Int J Immunopathol Pharmacol. 2021 Jan-Dec;35:20587384211040903. doi: 10.1177/20587384211040903.
Comprehensive bioinformatics analysis of the effective molecular screening of Podophyllum octagonal in breast cancer treatment by using network pharmacology.
We collected the active ingredients and target genes of Chinese medicine octagonal lotus through the Traditional Chinese Medicine System Pharmacology Analysis Platform (TCMSP); downloaded human protein annotation information on the protein database Uniport; and collected data from five databases: GeneCards, OMIM, PharmGkb, TDD, and DrugBank. Construct the practical ingredient-target gene data intersection to obtain the target gene-disease gene and draw the Venn diagram. We use Cytoscape 3.8.0 software to construct the effective component-target gene-disease gene network. The STRING database protein interaction (PPI) networks were erected, and we used Cytoscape 3.8.0 software to screen out its core sub-networks and hub gene networks. Through survival analysis, core genes and hub genes were screened to identify several key genes. We performed key target gene ontology (GO) analysis and gene interaction (KEGG) analysis, which were followed by molecular docking of the key active ingredients in the star anise corresponding to several key genes.
19 active ingredients, 444 drug targets, and 10,941 disease-related genes were obtained. The key active ingredient was quercetin. GO analysis revealed 2471 affected biological processes, and 167 pathways were obtained in KEGG enrichment analysis.
This study initially screened the key active ingredients of star aniseed lotus and analyzed key genes and several essential pathways. Traditional Chinese medicine is expected to provide new evidence and research ideas to prevent and treat breast cancer.
运用网络药理学对八角莲治疗乳腺癌的有效分子进行综合生物信息学分析。
通过中药系统药理学分析平台(TCMSP)收集中药八角莲的活性成分和靶基因;从蛋白质数据库 Uniport 下载人类蛋白质注释信息;从五个数据库:GeneCards、OMIM、PharmGkb、TDD 和 DrugBank 中收集数据。构建实际成分-靶基因数据交集,获得靶基因-疾病基因,并绘制 Venn 图。我们使用 Cytoscape 3.8.0 软件构建有效成分-靶基因-疾病基因网络。构建 STRING 数据库蛋白质相互作用(PPI)网络,并用 Cytoscape 3.8.0 软件筛选其核心子网络和枢纽基因网络。通过生存分析,筛选核心基因和枢纽基因,鉴定出几个关键基因。对关键靶基因进行基因本体(GO)分析和基因相互作用(KEGG)分析,然后对八角莲中几个关键基因对应的关键活性成分进行分子对接。
获得 19 种活性成分、444 个药物靶点和 10941 个疾病相关基因。关键活性成分为槲皮素。GO 分析揭示了 2471 个受影响的生物过程,KEGG 富集分析得到了 167 条通路。
本研究初步筛选了八角莲的关键活性成分,分析了关键基因和几个关键通路。有望为防治乳腺癌提供新的证据和研究思路。