Using network pharmacological analysis and molecular docking to investigate the mechanism of action of quercetin's suppression of oral cancer.
Mechanism of action
Molecular docking
Network pharmacology
Oral cancer
Quercetin
Journal
Journal of cancer research and clinical oncology
ISSN: 1432-1335
Titre abrégé: J Cancer Res Clin Oncol
Pays: Germany
ID NLM: 7902060
Informations de publication
Date de publication:
Nov 2023
Nov 2023
Historique:
received:
05
07
2023
accepted:
14
08
2023
medline:
27
10
2023
pubmed:
23
8
2023
entrez:
23
8
2023
Statut:
ppublish
Résumé
This investigation seeks to explore the mechanism of quercetin in oral cancer by incorporating network pharmacology analysis and molecular docking. First, we use the network pharmacology analysis to discover possible core targets for quercetin and oral cancer. We subsequently utilized the docking of molecules techniques to calculate the affinities of critical targets and quercetin for verification. TCMSP and the Swiss Target Prediction database found 190 quercetin action targets, while GeneCards, OMIM, PharmGkb, and the Therapeutic Target Database found 8971 oral cancer-related targets. Venny 2.1.0 online software conducted an intersection analysis of quercetin-related target information with information about oral cancer, and 172 putative quercetin-anti-oral cancer targets were examined. Six prospective core targets for quercetin treatment of oral cancer were identified from the PPI network topology analysis of 172 putative therapeutic targets. These targets include AKT1, PIK3R1, MYC, HIF1A, SRC, and HSP90AA1. GO enrichment function analysis showed that 2372 biological processes, 98 cell components, and 201 molecular functions were involved. Through enrichment analysis of the KEGG pathway, 172 signal pathways were obtained. A few examples are PI3K-AKT, HIF-1, IL-17, and other signaling pathways. The molecular docking scores of quercetin and the primary therapeutic targets AKT1, HIF1A, HSP90AA1, MYC, PIK3R1, and SRC are all less than -0.7 points, demonstrating good compatibility between the medicine and small molecules and suggesting that quercetin may affect oral cancer through the primary target. This study explores quercetin's mechanism and possible targets for oral cancer treatment, offering novel approaches. Quercetin may be a multitarget medication against oral cancer in the future.
Identifiants
pubmed: 37610675
doi: 10.1007/s00432-023-05290-0
pii: 10.1007/s00432-023-05290-0
doi:
Substances chimiques
Quercetin
9IKM0I5T1E
Phosphatidylinositol 3-Kinases
EC 2.7.1.-
Drugs, Chinese Herbal
0
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
15055-15067Subventions
Organisme : Zhejiang Traditional Chinese Medicine Science and Technology Program
ID : No. 2021ZA007
Organisme : Science Technology Department of Zhejiang Province
ID : LGD22H140003
Organisme : Zhejiang Provincial Medical Technology Plan Project
ID : 2022KY505
Informations de copyright
© 2023. The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature.
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