Mechanism of radix trichosanthis in the treatment of lung cancer based on network pharmacology and molecular docking
Objective To investigate the target and mechanism of radix trichosanthis in the treatment of lung cancer based on network pharmacology and molecular docking.Methods The search period was up to July 2022.The active ingredients of radix trichosanthis were selected using the TCMSP and TCMID databases combined with the PubChem database.The potential targets of active ingredients were obtained using the TCMSP,TCMID,and SwissTargetPrediction databases.The GeneCards,OMIM,TTD,and DrugBank databases were searched to collect the targets of lung cancer.The drugs were intersected with disease targets and a Venn diagram was drawn using the online web site Venny 2.1.The common target protein-protein interaction network was drawn using the String database.The"drug-active ingredient-disease-target"network diagram was constructed through Cytoscape 3.8.2 software.Gene ontology(GO)enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway analysis of common targets were performed using Metascape database.Molecular docking verification was performed using Autodock software.Results Through screening,28 active ingredients and 201 action targets were obtained from radix trichosanthis.A total of 1 645 lung cancer targets were retrieved from the four major disease databases.There were 37 intersecting targets between the drug and disease.According to the Degree value,estrogen receptor 1(ER1),signal transduction and transcriptional activator 3(STAT3),and epidermal growth factor receptor(EGFR)were determined as the core targets.GO enrichment analysis found that radix trichosanthis might treat lung cancer by regulating gland development,cell proliferation,cell adhesion,receptors,enzymes,and activities of proteins.The KEGG pathway enrichment analysis revealed that radix trichosanthis might act on chemical oncogenic receptor activation,pathways in cancer,hypoxia-inducing factor 1(HIF-1)signaling pathway,and microRNAs and proteoglycans in cancer.Molecular docking results showed that the binding activity of key small molecule compounds to the core target was significant.Conclusion Radix trichosanthis plays a role in the treatment of lung cancer through multi-target and multi-pathway mechanisms,laying a foundation for subsequent experiments and clinical applications.
Lung cancerRadix trichosanthisNetwork pharmacologyMolecular dockingSmall molecular compoundMechanism of actionInvestigation
万方数据
维普
