基于网络药理学与分子对接探讨复方紫术栓治疗人乳头瘤病毒感染的作用机制OA

Objective To deeply explore the mechanism of action of compound Zizhu suppository in treating human papilloma virus(HPV)infection using network pharmacology and molecular docking technology,providing data support for the clinical use of compound Zizhu suppository.Methods TCMSP and HERB databases were used to obtain the chemical constituents and action targets of compound Zizhu suppository.OMIM and GeneCards databases were used to search for targets related to HPV infection.The targets of compound Zizhu suppository and HPV infection were intersected to obtain the predicted targets of compound Zizhu suppository in the treatment of HPV infection.Cytoscape software was used to construct the interaction network diagram of"drug components-targets-pathways".STRING database and Cytoscape were used for protein interaction(PPI).DAVID database platform was used to analyze the biological process and metabolic pathway of compound Zizhu suppository in the treatment of HPV infection by GO functional enrichment and KEGG pathway enrichment analysis.The molecular docking verification was completed by AutoDock Vina software.Results Based on network pharmacology analysis,compound Zizhu suppository contained 211 active ingredients,with 1482 HPV infection-related targets,and 113 intersecting targets.Key targets for treating HPV infection with compound Zizhu suppository included STAT3,EGFR,AKT1,HSP90AA1,SRC,TNF,JUN and JAK2.The network diagram of"active ingredient-target-signaling pathway of traditional Chinese medicine"network analysis to construct compound Zizhu suppository for the treatment of HPV infection showed 567 nodes and 2072 edges.KEGG enrichment analysis showed that compound Zizhu suppository was mainly involved in PI3K-Akt signaling pathway,ErbB,PD-1/PD-L1 signaling pathway and cancer to exert its therapeutic effect.AKT1 had a good docking effect with most active ingredients.The binding effects of campesterol,CLR and quercetin with key proteins such as AKT1 and HSP90 AA1 were better.Conclusion Compound Zizhu suppository can regulate PI3K-Akt signaling pathway,ErbB signaling pathway,PD-1/PD-L1 signaling pathway and cancer signaling pathway through multi-component and multi-target,and play a role in the treatment of HPV infection.