基于网络药理学和分子对接技术探讨凉血五根汤治疗过敏性紫癜作用机制OA

Objective To explore the mechanism of Liangxue Wugen Decoction(LWD)in treating allergic purpura(AP)using network pharmacology and molecular docking techniques.Methods Chemical components and targets of LWD were retrieved from TCMSP.AP-related targets were obtained from GeneCards and OMIM.Venny 2.1.0 was used to identify common targets between LWD and AP.These common targets were imported into STRING to construct a protein-protein interaction(PPI)network.Cytoscape 3.10.2 software was utilized to build a disease-Chinese materia medica-active component-target network.GO functional enrichment and KEGG pathway enrichment analyses were performed using R language 4.4.1.Molecular docking validation of core active components and core targets was conducted using AutoDockTools 1.5.6 software.Results A total of 60 active components of LWD and 86 potential therapeutic targets were screened.1 693 AP-related targets were identified,yielding 40 common targets between LWD and AP.PPI network analysis identified 10 core targets,including TNF,PTGS2,CASP3 and TP53.KEGG pathway enrichment analysis suggested that LWD may treat AP by regulating signaling pathways such as apoptosis and MAPK.Molecular docking results demonstrated favorable binding affinity and high stability between the core active components(β-sitosterol,stigmasterol,xyloidone,acacetin)and the core targets(TNF,PTGS2 and CASP3).Conclusion LWD may treat AP by acting on core targets of TNF,PTGS2,CASP3 and TP53 through core active components,such as β-sitosterol,stigmasterol and acacetin,to regulate signaling pathways including apoptosis and MAPK.