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1. 山东中医药大学第一临床医学院
2. 山东中医药大学附属医院重症医学科
3. 山东中医药大学附属医院肿瘤科
纸质出版日期:2021,
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房立源, 冯雪, 李慧杰, 等. 基于网络药理学探讨山慈菇治疗乳腺癌的分子机制[J]. 中国医院用药评价与分析, 2021,21(11):1302-1307.
FANG Liyuan, FENG Xue, LI Huijie, et al. Molecular Mechanism of Iphigenia Indica in the Treatment of Breast Cancer Based on Network Pharmacology[J]. 2021,21(11):1302-1307.
房立源, 冯雪, 李慧杰, 等. 基于网络药理学探讨山慈菇治疗乳腺癌的分子机制[J]. 中国医院用药评价与分析, 2021,21(11):1302-1307. DOI: 10.14009/j.issn.1672-2124.2021.11.005.
FANG Liyuan, FENG Xue, LI Huijie, et al. Molecular Mechanism of Iphigenia Indica in the Treatment of Breast Cancer Based on Network Pharmacology[J]. 2021,21(11):1302-1307. DOI: 10.14009/j.issn.1672-2124.2021.11.005.
目的:基于网络药理学-分子对接技术
探讨山慈菇治疗乳腺癌的分子作用机制。方法:从中药系统药理学数据库与分析平台(traditional Chinese medicine systems pharmacology database and analysis platform
TCMSP)和Uni Prot数据库中收集山慈菇的活性成分和其作用靶点
运用Gene Cards、人类孟德尔遗传综合数据库(online mendelian inheritance in man
OMIM)和毒性与基因比较数据库(comparative toxicogenomics database
CTD)建立乳腺癌靶点数据库
获取山慈菇作用于乳腺癌的交集靶点。运用Cytoscape Version 3.7.1软件和STRING数据库分别绘制"山慈菇-活性成分-作用靶点"网络图和蛋白质-蛋白质相互作用(protein-protein interaction
PPI)网络图
运用R语言相关程序包进行京都基因与基因组百科全书(Kyoto encyclopedia of genes and genomes
KEGG)通路富集分析和基因本体(gene ontology
GO)功能富集分析
运用分子对接技术验证活性成分与核心靶点的作用强度
最后运用细胞实验证明山慈菇水煎液对乳腺癌细胞增殖的抑制作用。结果:山慈菇共有3个活性成分
涉及70个作用靶点
乳腺癌作用靶点有364个。山慈菇作用靶点和乳腺癌疾病靶点共有14个交集靶点。其中
重要的中药成分有豆甾醇和β-谷甾醇;关键作用靶点为PTGS2、JUN、ESR1和NOS3。GO功能富集分析和KEGG通路富集分析结果显示
共筛选出475条GO信号通路和23条KEGG信号通路
主要涉及癌症的途径和雌激素信号通路等。分子对接结果显示
化合物与靶点之间具有较好的结合能。细胞实验结果证实
山慈菇对乳腺癌具有较好的抑瘤作用。结论:山慈菇治疗乳腺癌具有多成分、多靶点和多通路的特点
可为临床应用提供更多参考。
OBJECTIVE: To explore the molecular mechanism of iphigenia indica in the treatment of breast cancer based on network pharmacology molecular docking. METHODS: The active components and their targets of iphigenia indica were collected from traditional Chinese medicine systems pharmacology database and analysis platform( TCMSP). The database of breast cancer target was established by GeneCards
online mendelian inheritance in man( OMIM) and comparative toxicogenomics database( CTD)
and the intersection target of iphigenia indica in the treatment of breast cancer was obtained. Cytoscape Version 3. 7. 1 software and STRING database were used to draw the network diagram of “iphigenia indica-active ingredients-targets ” and protein-protein interaction( PPI). Kyoto encyclopedia of genes and genomes( KEGG) pathway enrichment analysis and gene ontology( GO) functional enrichment analysis were performed by using R language package. Molecular docking was used to explore the interaction between active ingredients and core targets. Cell experiments were carried out to prove the inhibitory effect of the decoction on the proliferation of breast cancer cells. RESULTS: There were 3 active ingredients and 70 targets in iphigenia indica
including 364 targets in breast cancer. There were 14 targets in the intersection of iphigenia indica and breast cancer targets. Stigmasterol and beta-sitosterol were the most important ingredients of traditional Chinese medicine. The key targets were PTGS2
JUN
ESR1 and NOS3. Go analysis and KEGG enrichment analysis showed that 475 GO pathways and 23 KEGG pathways were screened out
mainly related to cancer pathway and estrogen signaling pathway. The results of molecular docking indicated that there was good binding energy between the compound and the target. Cell experiments confirmed that iphigenia indica has significant anti-tumor effect on breast cancer. CONCLUSIONS: Iphigenia indica has the characteristics of multi-component
multi-target and multi-channel in the treatment of breast cancer
which can provide more references for clinical application.
山慈菇乳腺癌网络药理学机制预测分子对接
Iphigenia indicaBreast cancerNetwork pharmacologyMechanism predictionMolecular docking
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