Potential Molecular Mechanism of Phenylethanoid Glycosides from Herba Cistanches against Hepatocellular Carcinoma:Based on Network Pharmacology and Molecular Docking
To explore the potential molecular mechanism of phenylethanoid glycosides from Herba Cistanches(CPhGs) against hepatocellular carcinoma(HCC) through network pharmacology and molecular docking.Methods:The active ingredients and potential targets of CPhGs were retrieved from Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP) and other databases and literature,and targets related to HCC from Therapeutic Target Database(TTD),Genecards,and other databases.Thereby,the common targets of CPhGs and the disease were yielded and the protein-protein interaction(PPI) network was constructed to screen the key targets.Key targets were imported into DAVID for Gene Ontology(GO) term enrichment and Kyoto Encyclopedia of Genes and Genomes(KEGG) pathway enrichment.Finally,AutoDock vina was employed for molecular docking of main active ingredients and core targets.Results:A total of 29 active ingredients in CPhGs were screened out,involving 410 target genes.The signaling pathways directly related to the treatment of HCC were cancer signaling pathway,cancer proteoglycan pathway,phosphatidylinositol 3-kinase-protein kinase B(PI3K-Akt) signaling pathway,vascular endothelial growth factor(VEGF) signaling pathway,etc.The molecular docking results show that the screened target receptor proteins had high binding affinity to the active ingredients.Conclusion:CPhGs may regulate cancer cells,angiogenesis,and others through multiple components,multiple targets,and multiple pathways,thereby exerting therapeutic effect on HCC.