Action mechanism of Erzhi pills on non-small cell lung cancer based on network pharmacology and molecular docking
This paper explores the mechanism of Erzhi pills on non-small cell lung cancer(NSCLC)based on net-work pharmacology and molecular docking,so as to provide scientific basis for the development of new anti-cancer TCM drugs.The effective chemical components of Eclipta prostrate L.and Ligustrum lucidum Ait.were collected in Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP),the effective com-ponents and corresponding targets were collected according to drug distribution,absorption,metabolism and excre-tion(ADME).The vital targets of NSCLC were obtained in Drugbank,Genecards and OMIM databases,and repeat-ed values were removed.The protein interaction was analyzed by String database and the PPI network was construe-ted.The Erzhi pills components-NSCLC network was constructed by using Cytoscape3.7.1.Molecular docking was performed for verification.Cytoscape3.7.1 was used to select the top core targets.The gene ontology(GO)function and Kyoto encyclopedia genes and genomes(KEGG)signaling pathway enrichment were analyzed by using R language for the targets in PPI.Through network pharmacological analysis,21 effective ingredients were obtained in Erzhi pills,205 drug targets were obtained after removing repeated values,1935 disease targets were obtained for NSCLC,and 132 drug-disease common targets were obtained.PPI analysis showed that TP53,AKT1,MAPK1 and RELA were the core gene targets.Through molecular docking,it was found that quercetin,luteolin,kaempferol,β-sitosterol and acacetin in Erzhi pills were well combined with the core gene targets.Erzhi pills might be involved in the regulation of non-small cell lung cancer through AGE-RAGE pathway,IL-17 signaling pathway and TNF sig-naling pathway.
万方数据
维普
