Study on hepatotoxicity of Aconitum brachypodum based on network pharmacology and molecular docking  

作　　者：Teng-Da Li An-Lan Zhao Rui Gong Xue-Feng Li Cheng Chen Xin-Ju Li 

机构地区：[1]School of Traditional Chinese Medicine,Tianjin University of Traditional Chinese Medicine,Tianjin 301617,China [2]Graduate school,Tianjin University of Traditional Chinese Medicine,Tianjin 301617,China [3]School of Acupuncture Moxibustion and Tuina,Tianjin University of Traditional Chinese Medicine,Tianjin 301617,China

出　　处：《Toxicology Advances》2022年第4期16-23,共8页毒理学前沿

摘　　要：Objective:To explore the potential mechanism of hepatotoxicity induced by Aconitum brachypodum through network toxicology.Methods:The active components and targets of Aconitum brachypodum were identified and screened by CNKI,PubChem database,Swiss Target Prediction database.Genecards,pharmGKB and DisGeNET databases were used to collect hepatotoxicity related targets.The intersection targets were obtained by matching the active component targets with the hepatotoxic targets of Aconitum brachypodum.Cytoscape software was used to construct the"Aconitum brachypodum-potential active components-potential targets-hepatotoxicity"network.The STRING database was used to construct the protein-protein interaction(PPI)network of the targets and to screen out the core targets.In addition,Gene Ontology(GO)function enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis were conducted by R software.The toxic components in Aconitum brachypodum were docked with the core targets.Results:In this study,26 chemical components were screened via SwissADME,297 targets for the active components of Aconitum brachypodum were obtained.There were 1,096 hepatotoxicity-related targets,73 potential targets for hepatotoxicity caused by Aconitum brachypodum,and 15 potential active components,among which Penduline,Songoramine,Sitosterol,Daucosterol and Bullatine A were the key active components for hepatotoxicity caused by Aconitum brachypodum,and signal transducer and activator of transcription 3(STAT3),epidermal growth factor receptor(EGFR),mitogen-activated protein kinase 8(MAPK8)and tyrosine-protein kinase JAK2(JAK2)were the potential targets for hepatotoxicity caused by Aconitum brachypodum.There were 1,133 GO entries(P<0.05),including 1,045 entries of biological process(BP),19 entries of cellular component(CC),and 69 entries of molecular function(MF).KEGG enrichment analysis revealed 115 pathways(P<0.05),of which EGFR tyrosine kinase inhibitor resistance,hypoxia-inducible factor 1(HIF-1)signaling pathw

关 键 词：network pharmacology Aconitum brachypodum HEPATOTOXICITY APOPTOSIS inflammatory response oxidative stress 

分 类 号：O62[理学—有机化学]