Analysis on the function mechanism of anti-colorectal cancer of pericarpium zanthoxyli based on network pharmacology and molecular docking
Objective To investigate the function mechanism of pericarpium zanthoxyli in the treatment of colorectal cancer(CRC)based on network pharmacology and molecular docking.Methods The effective ingredients and function targets of pericarpium zanthoxyli were obtained from TCMSP,PubChem and SwissTargetPridiction databases.The disease targets were obtained from GeneCards,OMIM and TTD databases;Protein-protein interaction(PPI)analysis was performed by using STRING database.Topology analysis was carried out by Cytoscape software to screen out key targets.Gene ontology(GO)and Kyoto encyclopedia of genes and genomes(KEGG)enrichment analysis were performed on key targets using DAVID database.Finally,molecular docking validation was performed on the main active ingredients and key targets of pericarpium zanthoxyli using AutoDock Vina 1.2.0 software.Results Pericarpium zanthoxyli had 5 core ingredients against CRC,namely kokusaginine,skimmianine,diosmetin,quercetin and isorhamnetin;The key targets included AKT1,PIK3R1,EGFR,etc.;The main pathways were cancer,PI3K-Akt,etc..The results of molecular docking showed that pericarpium zanthoxyli had good binding activity between the main core components and the core target.Conclusion The anti-CRC function mechanism of pericarpium zanthoxyli may be that its effective ingredients function on key targets such as AKT1 and PIK3R1 and cancer-related signal pathways,thus inhibiting the proliferation of tumor cells and promoting their apoptosis.
Pericarpium zanthoxyliNetwork pharmacologyMolecular dockingColorectal cancer
万方数据
维普
