雷公藤治疗SAPHO综合征的作用机制:基于网络药理学与分子对接的研究OA

Objective This study aimed to explore the main pharmacological components and mechanisms of action of Tripterygium wilfordii Hook.f.in the treatment of synovitis,acne,pustulosis,hyperostosis,osteitis(SAPHO)syndrome through network pharmacology and molecular docking technology. Methods The active ingredients and gene targets of Tripterygium wilfordii Hook.f.were retrieved from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP),and the disease targets of SAPHO syndrome were obtained from the Gene Cards database.Venny plots were drawn,and the intersecting genes were selected as potential therapeutic targets;Cytoscape 3.9.0 software was used to create target maps;string construction of PPI protein network was performed;Gene Ontology(GO)enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis were performed using the Database for Annotation,Visualization,and Integrated Discovery(DAVID)to predict the targets and pathways of active ingredients from Tripterygium wilfordii for treating SAPHO syndrome;and Autodock4.2.6 software was used for molecular docking validation and display of active ingredients and targets. Results Six active ingredients from Tripterygium wilfordii Hook.f.were screened,corresponding to 136 targets,73 disease targets related to SAPHO syndrome,and 4 intersecting gene targets,namely VEGFA,TNF,TP53,and CXCL8.The pathways involved mainly included the PI3K/AKTsignaling pathway and the mitogen-activated protein kinase(MAPK)signaling pathway.Among them,molecular docking showed that the active ingredients of Tripterygium wilfordii Hook.f.B2 and Cinnamomum comptothecin from Sophora alopecuroides have good binding activity with the core target of SAPHO syndrome. Conclusion The system explains the complex relationship between"drug-target-pathway-disease"in the treatment of SAPHO syndrome with Tripterygium wilfordii Hook.f.,providing a theoretical basis for the use of Tripterygium wilfordii Hook.f.in the treatment of SAPHO syndrome.