Study on the mechanism of Guizhi Fuling pill in the treatment of ovarian cancer based on network pharmacology and molecular docking
Objective: To explore the main active components and mechanism of Guizhi Fuling pill in the treatment of ovarian cancer based on network pharmacology and molecular docking technology. Methods: TCMSP database was used to retrieve and screen the active components of each Chinese medicine in Guizhi...
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| Autores principales: | , |
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| Formato: | article |
| Lenguaje: | EN |
| Publicado: |
Editorial Board of Journal of Hainan Medical University
2021
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| Materias: | |
| Acceso en línea: | https://doaj.org/article/624a0130ec3b40998ca764cfe2d0befe |
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| Sumario: | Objective: To explore the main active components and mechanism of Guizhi Fuling pill
in the treatment of ovarian cancer based on network pharmacology and molecular docking
technology. Methods: TCMSP database was used to retrieve and screen the active components
of each Chinese medicine in Guizhi Fuling pill. The main active components of the medicine
were screened through the network analysis function of Cytoscape software, and the target of
the main active components of the medicine was found in UniProt database. Using genecards,
OMIM, digsee, TTD, and drugbank database to retrieve the related targets of ovarian cancer.
The interaction between the target of the main active components of the drug and the related
target of ovarian cancer was obtained by R software. The intersection targets are imported into
string database for PPI analysis, and then the results are imported into Cytoscape to get the
hub gene using the cyclohubba plug-in. KEGG pathway analysis and go enrichment analysis
were carried out in metascape database. At last, autodock tools was used to verify the main
active ingredients and the selected target proteins. PyMOL and LigPlus software visualized
the results. Results: The main active components of Guizhi Fuling pills were quercetin, β-
sitosterol, kaempferol, hederagenin, catechin, ellagic acid, stigmasterol and Douglas fir. There
are 20 pivotal genes of drug effect on ovarian cancer, including VEGFA, AKT1, mapk8, Jun,
MMP9, IL6, TNF, CXCL8, PTGS2, TP53, CASP3, mapk1, EGF, ESR1, EGFR, Myc, FOS,
CCL2, CXCL8 and IL1B. According to KEGG pathway analysis, 10 pathways with the
highest correlation were found: cancer signaling pathway, MAPK signaling pathway, fluid
shear stress and atherosclerosis, hepatitis B, trypanosomiasis, age-rage signaling pathway in
diabetic complications, tumor necrosis factor signaling pathway, pertussis, IL-17 signaling
pathway, and bladder cancer. Go enrichment analysis has screened out 10 important items in
molecular biological function, cell components and biological process. The proteins encoded
by IL6, mapk1, VEGFA, AKT1, TP53, TNF and CCL2 were used as targets to dock with the
main active components of the drug respectively, and the best results were TNFαand ellagic
acid. Conclusion: The main active components of Guizhi Fuling pill regulate multiple signal
pathways by regulating IL6, VEGFA, CCL2, TNF, MMP9 and other cytokines, and inhibit the
proliferation and metastasis of cancer cells. |
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