Mechanism of dihydrotanshinone I in the treatment of helicobacter pylori infection based on network pharmacology and molecular docking technology

Objective:Based on the network pharmacology approach and molecular docking technology,the core targets of dihydrotanshinone I(DHT)for the treatment of helicobacter pylori(Hp)infection were searched and the potential mechanisms of drug therapy were explored.Methods:The TCMSPdatabase and Swiss Target Prediction database were employed to identify drug targets.To mine disease targets based on GeneCards,OMIM,DrugBank,DisGeNET,and TTDdatabases.Then the two were intersected to obtain common targets.The proteinproteininteraction(PPI)networkmap of common targets was constructed on the basis of the String network platform and Cytoscape software,and the targets with degree values over 1/2 maximum degree value were selected as core targets.Molecular docking verification of DHTand core targets were performed using AutoDock and PyMOL software.Finally,gene ontology(GO)functional enrichment analysis andKyoto Encyclopediaof Genes and Genomes(KEGG)pathway enrichment analysis of the common targets were carried out using the Metascape database and R-4.0.2-win software.Results:A total of 13 targets of DHTwas extracted for the treatment of Hp,and five core targets,includingSignal transducerand activator of transcription 1(STAT1),Signal transducerand activator of transcription 3(STAT3),Prostaglandin G synthase 2(PTGS2),Signal transducerand activator of transcription 4(STAT4)and Indoleamine 2,3-dioxygenase 1(IDO1),were screened according to their degree values.Molecular docking indicated that DHThad an excellent binding to the core target.29 pathways were yielded by KEGG enrichment analysis,and a total of 48 biological processes,7 cellular components and 13 molecular functions were derived from GO enrichment analysis.Conclusion:DHTmay decrease pro-inflammatory factor expression and immune cell infiltration to treat Hpinfection via the janus kinase(JAK)-signal transducer and activator of transcription(STAT)signaling pathway regulated by STAT1,STAT3,STAT4,etc.