Mechanism of action of Centipeda minima in treatment of nasopharyngeal carcinoma:A study based on network pharmacology
Objective:To investigate the mechanism of action of Centipeda minima in the treatment of naso-pharyngeal carcinoma(NPC)based on network pharmacology and molecular docking.Methods:TCMSP,Batman-TCM,and ETCM databases were used to obtain the active components and action targets of Centipeda minima,and OMIM,GeneCards,TTD and Pharmgkb databases were used to obtain the targets associated with NPC.Venny 2.0.1 platform was used to obtain the intersecting targets of the drug and the disease,and Cytoscape 3.8.0 was used to construct a drug-component-target-disease network.STRING database was used to construct a protein-protein in-teraction(PPI)network,and gene ontology(GO)functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis were performed for the intersecting targets obtained.AutoDock Vina was used to perform molecular docking between the core active components of Centipeda minima and the key targets of NPC.Results:A total of 17 chemical components and 420 related targets were obtained for Centipeda minima,and 2332 targets were obtained for NPC,with 140 intersecting targets between Centipeda minima and NPC.The main active components of Centipeda minima included quercetin,stigmasterol,and sitosterol.The key tar-gets in the treatment of NPC included protein kinase B1(AkT1),tumor necrosis factor(TNF),and interleukin-6(IL-6),mainly involving the biological process of apoptosis and the signaling pathways of cancer,inflammation,and apoptosis.Molecular docking showed good binding capacity between the main active components and the core targets.Conclusion:Centipeda minima exerts a therapeutic effect on NPC through multiple components,targets,and pathways,and this study lays a foundation for further research on the mechanism of action of Centipeda minima in the treatment of NPC.
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