Mechanism of Tripterygium wilfordii in treatment of Behcet disease based on network pharmacology and molecular docking
Objective To explore the mechanism of active components of T.wilfordii in treatment of Behcet disease by network pharmacology.Methods The active components of T.wilfordii were obtained by TCMSP.The main components of T.wilfordii were transformed into the gene names by using PubChem and SwissTargetPrediction database.The targets of Behcet disease were obtained from Disgenet and GeneCards database.Venny 2.1 software was used to map the common target of the genes of the main components of T.wilfordii and Behcet disease.Cytoscape3.2.1 software was used to construct the intersection gene network diagram of"T.wilfordii-main component-Behcet disease".The protein interaction network analysis(PPI)of the target was constructed by using STRING database.GO analysis and KEGG pathway enrichment analysis were conducted through DAVID database and Weisheng software to screen out potential pathways and analyze their mechanism of action.The molecular docking was used for validation.Results A total of 59 bioactive components were obtained from T.wilfordii,corresponding to 561 targets.984 genes of Behcet disease.By screening the common targets of T.wilfordii on Behcet disease,73 intersection genes were obtained.Its core targets may be TNF,Akt1,MMP9,and STAT3.The core pathways may be lipid and atherosclerosis signaling pathway,hepatitis B signaling pathway,Th17 cell differentiation signaling pathway,cancer signaling pathway,human cytomegalovirus infection signaling pathway,etc.Molecular docking shows that demethylregelin have good binding conformations with the core target of TNF and Akt1,triptotriterpenic acid A have good binding conformations with the core target of Akt1.Conclusion T.wilfordii can exert its global regulatory effect in treatment of Behcet disease through multi target and multi pathway.
T.wilfordiiBehcet diseasenetwork pharmacologydemethylregelintriptotriterpenic acid A
NETL
NSTL
万方数据
