基于网络药理学探讨山慈菇治疗乳腺癌的分子机制.

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. [ABSTRACT FROM AUTHOR]