Mechanism of action of Xihuang Pill in treatment of pancreatic neuroendocrine tumor:A study based on network pharmacology and molecular docking
Objective:To investigate the mechanism of action of Xihuang Pill in the treatment of pancreatic neuroendocrine tumor(pNET)based on network pharmacology and molecular docking.Methods:TCMSP and HERB databases and related articles were searched to obtain the active components and action targets of Xihuang Pill,and GEO,GeneCards,and OMIM databases were used to obtain the disease targets of pNET.The intersecting targets were obtained,and R 4.1.2 software was used to perform gene ontology(GO)functional enrichment analy-sis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis of the intersecting tar-gets.STRING 11.5 was used to construct a protein-protein interaction network for the intersecting targets.Cyto-scape 3.9.0 was used to construct a network for the active components of Xihuang Pill and the disease targets of pNET and identify the core targets,and molecular docking was used to validate the interaction between core targets and active components.Results:A total of 66 active components were obtained for Xihuang Pill in the treatment of pNET,including quercetin,beta-sitosterol,ellagic acid,estradiol,and morin.A total of 148 targets were obtained for the action of Xihuang Pill on pNET,and the core targets included JUN,TP53,MYC,ESR1,HIF1A,and MAPK1.GO functions were mainly enriched in response to external stimuli,membrane raft,and DNA-transcription factor binding,and KEGG pathways were mainly enriched in the lipid signaling pathway,the chemical carcinogenesis-re-ceptor activation pathway,and the tumor protein p53 pathway.Molecular docking showed a good binding effect be-tween JUN/beta-sitosterol and quercetin,between TP53 and quercetin,between MYC and quercetin,between ESR1 and ellagic acid/estradiol/morin/phellamurin_qt,between HIF1A and quercetin,and between MAPK1 and querce-tin/muscol/cholesterol.Conclusion:Xihuang Pill exerts a therapeutic effect on pNET through a complex network in-volving multiple components,targets,and pathways,which provides a theoretical basis for subsequent studies.
pancreatic neuroendocrine tumorXihuang Pillmechanism of actionnetwork pharmacologymolecular docking
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维普
