Background:To explore the effective components and mechanism of Classic ancient prescription Wuji pill on lung cancer(LC)with the help of network pharmacology and molecular docking technology.Methods:TCMSP database,Ch...Background:To explore the effective components and mechanism of Classic ancient prescription Wuji pill on lung cancer(LC)with the help of network pharmacology and molecular docking technology.Methods:TCMSP database,Chinese Pharmacopoeia(2020 Edition)and related literature were searched to identify the main chemical composition and targets of constituent drugs in Wuji pill,including Houpo(Magnoliae Officinalis Cortex),Huangqin(Scutellariae Radix),Badou(Crotonis Fructus),Huanglian(Coptidis Rhizoma)and Renshen(Ginseng Radix et Rhizoma).Meanwhile,Genecards,OMIM,TTD,Drugbank and PharmGkb databases were used to obtain the main targets of LC.The"chemical compound-target"network was constructed by using Cytoscape 3.8.2 software with the disease drug intersection gene as the research target.The PPI network was constructed by using the string database for protein interaction analysis,and the core target genes were sorted out.The Gene ontology go function enrichment analysis and KEGG signal pathway enrichment analysis were carried out based on the ClusterProfiler of R software.Finally,the Autodock Vina software was used to conduct molecular docking between the core target with high value and the key components.Results:A total of 60 active components,190 corresponding targets and 2516 GO and 163 KEGG pathways of Wuji pill were screened out,including 179 potential targets of LC.The core targets were ESR1,CDKN1A,TP53,NR3C1,MAPK1,AKT1,MAPK8,JUN,RELA,the core components were quercetin,kaempferol,β-sitosterol,stigmasterol,tetrahedron,protoopioid,etc,and the core pathways were PI3K-Akt,MAPK,IL-17,etc.Conclusion:This study preliminarily revealed the mechanism of action of Wuji pill on multi component-multi target-multi pathway of LC,which provided reference for the further clinical development and research of Wuji pill.展开更多
基金the General Program of National Natural Science Foundation of China(No.81873399)Major research project of oncology of scientific and technological innovation project of China Academy of Chinese Medical Sciences(No.CI2021A01805).
文摘Background:To explore the effective components and mechanism of Classic ancient prescription Wuji pill on lung cancer(LC)with the help of network pharmacology and molecular docking technology.Methods:TCMSP database,Chinese Pharmacopoeia(2020 Edition)and related literature were searched to identify the main chemical composition and targets of constituent drugs in Wuji pill,including Houpo(Magnoliae Officinalis Cortex),Huangqin(Scutellariae Radix),Badou(Crotonis Fructus),Huanglian(Coptidis Rhizoma)and Renshen(Ginseng Radix et Rhizoma).Meanwhile,Genecards,OMIM,TTD,Drugbank and PharmGkb databases were used to obtain the main targets of LC.The"chemical compound-target"network was constructed by using Cytoscape 3.8.2 software with the disease drug intersection gene as the research target.The PPI network was constructed by using the string database for protein interaction analysis,and the core target genes were sorted out.The Gene ontology go function enrichment analysis and KEGG signal pathway enrichment analysis were carried out based on the ClusterProfiler of R software.Finally,the Autodock Vina software was used to conduct molecular docking between the core target with high value and the key components.Results:A total of 60 active components,190 corresponding targets and 2516 GO and 163 KEGG pathways of Wuji pill were screened out,including 179 potential targets of LC.The core targets were ESR1,CDKN1A,TP53,NR3C1,MAPK1,AKT1,MAPK8,JUN,RELA,the core components were quercetin,kaempferol,β-sitosterol,stigmasterol,tetrahedron,protoopioid,etc,and the core pathways were PI3K-Akt,MAPK,IL-17,etc.Conclusion:This study preliminarily revealed the mechanism of action of Wuji pill on multi component-multi target-multi pathway of LC,which provided reference for the further clinical development and research of Wuji pill.
