Mechanism of Pogostemonis Herba in treatment of liver cancer based on network pharmacology and molecular docking
Objective To analysis the targets,signal pathways and possible mechanisms of action of Pogostemonis Herba in treatment of liver cancer based on the method of network pharmacology and molecular docking.Methods The TCMSP database was used to screen the chemical components and targets of Pogostemonis Herba,the Uniprot database was used to query the corresponding genes of the target,the Genecards database and the online human Mendelian Inheritance(OMIM)database were used to collect the targets of liver cancer.Venny 2.1 was used to intersect the target of Pogostemonis Herba and the target of liver cancer,and build a protein interaction(PPI)network through the STRING platform.DAVID was used for GO enrichment analysis and KEGG analysis.Visual analysis was performed by Cytoscape 3.8.2 software.Cytoscape 3.8.2 software was used to construct the"drug-active ingredient-target-disease"network,screen out the core targets,and docked the active ingredients with the top five core targets.Results 10 Compounds and 165 corresponding targets were screened from Pogostemonis Herba medicinal materials.123 Key targets were obtained by intersecting the regulatory targets of the main active components of Pogostemonis Herba and the targets of liver cancer.Akt,TP53,IL-6,JUN,and CASP3 were key targets.The GO analysis showed that the therapeutic effect of Pogostemonis Herba on liver cancer mainly involves 283 biological processes such as positive regulation of transcription from RNA polymerase Ⅱ promoter and positive regulation of transcription,DNA-templated,57 molecular functions such as protein binding,identical protein binding,and RNA polymerase Ⅱ core promoter proximal region sequence-specific DNA binding,as well as 26 cellular components such as nucleus and cytosol;Through KEGG enrichment analysis,95 signaling pathways were identified,mainly including pathways in cancer,hepatitis B,HTLV-I infection,tumor proteins,PI3K/Akt,and other signaling pathways.The effective components of Pogostemonis Herba can effectively combine with core targets.Conclusion Pogostemonis Herba can play an anti-hepatoma role by acting on targets such as Akt1,TP53,IL-6 and regulating hepatitis B,HTLV-I infection,PI3K/Akt and other signal pathways.
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