WANG Yixuan, TAN Yingying, CHEN Meilin, et al. Mechanism of Renshen Guben Oral Liquid in the Treatment of Breast Cancer Based on Network Pharmacology and Molecular Docking Technology[J]. 2022,22(3):265-271.
WANG Yixuan, TAN Yingying, CHEN Meilin, et al. Mechanism of Renshen Guben Oral Liquid in the Treatment of Breast Cancer Based on Network Pharmacology and Molecular Docking Technology[J]. 2022,22(3):265-271. DOI: 10.14009/j.issn.1672-2124.2022.03.003.
OBJECTIVE: To explore the potential active ingredients and possible mechanism of Renshen Guben oral liquid in the treatment of breast cancer by network pharmacology and molecular docking technology. METHODS: The active ingredients and potential targets in Renshen Guben oral liquid were obtained by Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform
BATMAN-TCM and other databases. Related disease targets of breast cancer were obtained from databases such as Human Mendelian Inheritance Omnibus and DigSee. The intersection targets of potential targets and related disease targets were imported into the STRING website for protein-protein interaction analysis
and the obtained data were imported into Cytoscape 3.8.2 software for module analysis by using the MCODE plug-in. And the representative targets were screened for gene ontology functional enrichment analysis(GO) and Kyoto Encyclopedia of Genes and Genomes pathway(KEGG) enrichment analysis by Metascape and other software. Cytoscape 3.8.2 software was used to construct “compound-target” “traditional Chinese medicine-compound-target-pathway” and other networks. The core target was extracted for molecular docking with corresponding compounds. RESULTS: 448 common targets of Renshen Guben oral liquid and breast cancer were screened. The key targets included SRC
STAT3
HSP90 AA1
PIK3 R1
Akt1
EGFR and ESR1. GO and KEGG enrichment analysis showed that the treatment of breast cancer by Renshen Guben oral liquid was mainly related to biological processes such as cellular response to nitrogen compound
cellular response to organic cyclic compound and MAPK cascade. Molecular docking results showed that the minimum binding energy between the core target and the corresponding compounds was MoreReset
关键词
人参固本口服液乳腺癌网络药理学作用机制
Keywords
Renshen Guben oral liquidBreast cancerNetwork pharmacologyMechanism of action