Study on the mechanism of Psoralea corylifolia Linn.in the treatment of periodontitis based on network pharmacology and molecular docking
Objective:To explore the mechanism of Psoralea corylifolia Linn.in the treatment of periodontitis by using network pharma-cology and molecular docking techniques.Methods:The main active ingredients of Psoralea corylifolia Linn.and their corresponding targets were obtained through a large number of literature reviewing.The periodontitis related targets were obtained using GeneCards and GEO databases,and the drug-disease intersection targets were obtained after making Venny map.The protein-protein interaction(PPI)net-work was constructed using the tool platform STRING11.5.Cytoscape 3.7.0 software was used to construct network diagrams of"active ingredi-ents of Psoralea corylifolia Linn-potential targets"and"key targets of periodontitis",and the top 10 key active ingredients and core targets were selected.By using Metascape database and Weisheng platform,the core target was enriched by gene ontology(GO)function analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway analysis.Finally,Discovery Studio 2019 was used to conduct molecular docking between key active ingredients of Psoralea corylifolia Linn.and core targets to explore the best binding targets.Results:87 active ingredients were screened and 595 related targets of PCL were obtained,1 213 periodontitis-related targets were obtained.GO analysis yielded that the gene functions of the active ingredients of PCL were mainly related to response to hormone,etc..KEGG results showed that the main effects of PCL were related to the cancer pathway and some other signaling pathways.Molecular docking results indicated that the binding of bakuflavanone with Matrix Metallo-proteinase 9(MMP9)had the highest binding energy which proved that they had a stabilized binding ability.Conclusion:The active ingredients of PCL may exert therapeutic effects to treat periodontitis via multiple signaling pathways by activating on the key targets;especially,bakuflavanone may have the potential to be developed as a new anti-periodontitis drug.
万方数据
维普
