Discussion on the mechanism of treating cancer pain with Yanhusuo-Luxiancao based on network pharmacology and molecular docking technology
Objective:To explore the mechanism of Yanhusuo(Rhizoma Corydalis)-Luxiancao(Herba Pyrolae)in the treatment of cancer pain based on network pharmacology and molecular docking technology.Methods:The components and target of rhizoma corydalis and vherba pyrolae were searched in TCMSP,and the final target of the drug was obtained by matching,correction and screening against UniPort protein database,and the results were imported into Cytoscape 3.9.0 to construct the drug-component-target map.Cancer pain targets were screened from GeneCards database and OMIM database,respectively.In Venny 2.1.0,drug targets and disease targets are introduced.Venn diagrams were drawn to obtain intersection targets.Then,topology analysis was conducted on the intersection targets through String website and Cytoscape 3.9.0,and protein-protein interaction network map was constructed after screening.GO and KEGG enrichment analysis was performed for the screened core targets based on DAVID database and wechat bioinformatics platform,and graphs were drawn.Finally,molecular docking verification was carried out between the core target and the component.Results:A total of 56 drug components were obtained by searching and screening,including 49 of Yanhusuo and 7 of Luxiancao.With 203 drug targets,and 6 020 disease targets.There are 182 intersection targets.The effective components were quercetin,kaempferol,β-sitosterol,and the effective protein targets were RAC-alpha AKT1,TP53,JUN,TNF,IL-6,EGFR,etc..In GO analysis,BP was mainly involved in 240 processes including positive regulation of transcription from RNA polymerase Ⅱ promoter,positive regulation of transcription(DNA-templated)and response to drug.CC is mainly involved in 27 processes including nucleus,plasma membrane and cytoplasm.MF mainly participates in 48 processes including protein binding,enzyme binding and identical protein binding.In KEGG enrichment analysis,with 94 targets were mainly involved pathways in cancer,hepatitis B,PI3K-Akt signaling pathway,proteoglycans in cancer,chagas disease(American trypanosomiasis),TNF signaling pathway,MAPK signaling pathway,HTLV-I infection,HIF-1 signaling pathway,etc..The docking verification of core target protein and molecule also showed good binding ability.Conclusion:The combination of Yanhusuo and Luxiancao can intervene cancer pain through multi-target and multi-pathway,and the main mechanism may be related to anti-inflammatory and nerve regulation,which provides a certain theoretical basis for the intervention and treatment of cancer pain with TCM medicine.
万方数据
维普
