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| Network pharmacology and molecular docking-based research on the mechanism of dandelion against breast cancer |
| Hits 756 Download times 1209 Received:October 12, 2022 |
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| DOI
10.11656/j.issn.1672-1519.2023.01.20 |
| Key Words
dandelion;breast cancer;network pharmacology;molecular docking |
| Author Name | Affiliation | E-mail | | YUAN Xinyi | School of Pharmacy, Chengdu Medical College, Chengdu 610500, China | | | ZENG Shuxin | School of Pharmacy, Chengdu Medical College, Chengdu 610500, China | | | YANG Run | School of Pharmacy, Chengdu Medical College, Chengdu 610500, China | | | LI Yi | School of Pharmacy, Chengdu Medical College, Chengdu 610500, China | 543260747@qq.com |
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| Abstract
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| [Objective] To explore the mechanism of dandelion's anti breast cancer based on network pharmacology and molecular docking,in order to provide reference for clinical anti breast cancer.[Methods] To screen the effective components and targets of dandelion through Batman TCM,TCMID,TCMSP and CancerHSP databases,and the interaction network between the effective components and targets of dandelion was constructed by Cytoscape. To screen the targets for breast cancer through GeneCards,OMIM,TTD,DisGeNET,Pharmgkb and Malacards databases. The protein-protein interaction network (PPI) was constructed by STRING,and the GO function annotation and KEGG pathway enrichment analysis of the core targets were carried out by David database. The combination ability is predicted by PyMOL and antodock software.[Results] A total of 10 potential components and 136 target sites of dandelion were screened out by 4 target databases. And 1 856 target genes for breast cancer and 41 potential target genes were screened out by 6 disease databases. PPI network contains 10 target targets for the dandelion in treatment of breast cancer. After GO and KEGG analysis,53 GO analysis results and 12 KEGG pathways were obtained. GO analysis showed that the dandelion in treatment of breast cancer may be related to the transcription initiation process,nuclear chromatin and DNA binding process of RNA polymerase II promoter. KEGG analysis showed that the dandelion in treatment of breast cancer may involve cancer pathways,serotonin related synapses,thyroid hormone signaling pathways and so on. Molecular docking results showed that most of the effective components of dandelion had good binding activity with their key targets.[Conclusion] The dandelion in treatment of breast cancer mainly involves targets such as PTGS2,PPARG and ESR1 and other 12 target pathways and dandelion's effective components can inhibit the growth of cancer cells through multiple targets,pathways and mechanisms. |
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