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- Title
基于网络药理学和分子对接技术的人参固本口服液治疗乳腺癌作用机制研究.
- Authors
王艺璇; 谭影影; 陈美琳; 黄佳奇; 翟弋焱; 吴嘉瑞
- Abstract
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, HSP90AA1, PIK3Rl, Aktl, EGFR and ESRl. 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 <-20 929. 26 J/mol. CONCLUSIONS: The mechanism of Renshen Guben oral liquid in the treatment of breast cancer may be closely related to neuroactive ligand-receptor interaction, SRC, HSP90AA1, PIK3Rl, Aktl, EGFR and ESRl.
- Subjects
ORGANIC cyclic compounds; NANOTECHNOLOGY; CHINESE medicine; HEREDITY; PROTEIN-protein interactions; FIREPROOFING agents
- Publication
Evaluation & Analysis of Drug-Use in Hospitals of China, 2022, Vol 22, Issue 3, p265
- ISSN
1672-2124
- Publication type
Article
- DOI
10.14009/j.issn.1672-2124.2022.03.003