[Objectives]To explore the molecular mechanism of Sanzi Yangqin Decoction in the treatment of bronchial asthma based on network pharmacology and molecular docking.[Methods]The components of Fructus Perillae,Semen Raph...[Objectives]To explore the molecular mechanism of Sanzi Yangqin Decoction in the treatment of bronchial asthma based on network pharmacology and molecular docking.[Methods]The components of Fructus Perillae,Semen Raphani and Semen Sinapis three traditional Chinese medicine-related components and targets of Feiduqing Sanzi Yangqin Decoction were obtained using Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP),and the targets of bronchial asthma were obtained using Genecards and OMIM databases.Sanzi Yangqin Decoction"drug-active ingredient-target-disease"network was established with the aid of Cytoscape 3.7.2 software and network topology analysis was carried out.The gene ontology(GO)function enrichment analysis and the KEGG pathway enrichment analysis were performed by DAVID.The top 3 components and targets in the network topology analysis were respectively molecularly docked.[Results]Through network analysis,4 key active components were obtained,mainly luteolin,arachidonic acid,β-carotene,etc.;5 key targets,mainly NCOA2,PGR,PTGS2,etc.Through GO analysis,523 items(P<0.05)were obtained,including 396 items in biological process(BP),53 items in cell composition(CC),and 74 items in molecular function(MF).KEGG analysis generated 144 signal pathways(P<0.05),involving PI3K-Akt signal pathway,human cytomegalovirus infection,Kaposi's sarcoma-associated herpes virus infection,proteoglycans in cancer,prostate cancer,etc.The results of molecular docking showed that core active compounds such as luteolin andβ-carotene in Sanzi Yangqin Decoction had good affinity with NCOA2,PGR,PTGS2 and other target genes,which were similar to clinically recommended chemical drugs.[Conclusions]The active compounds luteolin and carotene in Sanzi Yangqin Decoction may mainly bind to targets such as NCOA2,PGR,PTGS2,and regulate multiple signaling pathways such as PI3K-Akt to play a role in treating bronchial asthma.It is intended to provide new ideas for the clinical application and research of Sanzi Yangqin Decoction.展开更多
基金Science and Technology Planning Project of Lanzhou City(2018-1-117).
文摘[Objectives]To explore the molecular mechanism of Sanzi Yangqin Decoction in the treatment of bronchial asthma based on network pharmacology and molecular docking.[Methods]The components of Fructus Perillae,Semen Raphani and Semen Sinapis three traditional Chinese medicine-related components and targets of Feiduqing Sanzi Yangqin Decoction were obtained using Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP),and the targets of bronchial asthma were obtained using Genecards and OMIM databases.Sanzi Yangqin Decoction"drug-active ingredient-target-disease"network was established with the aid of Cytoscape 3.7.2 software and network topology analysis was carried out.The gene ontology(GO)function enrichment analysis and the KEGG pathway enrichment analysis were performed by DAVID.The top 3 components and targets in the network topology analysis were respectively molecularly docked.[Results]Through network analysis,4 key active components were obtained,mainly luteolin,arachidonic acid,β-carotene,etc.;5 key targets,mainly NCOA2,PGR,PTGS2,etc.Through GO analysis,523 items(P<0.05)were obtained,including 396 items in biological process(BP),53 items in cell composition(CC),and 74 items in molecular function(MF).KEGG analysis generated 144 signal pathways(P<0.05),involving PI3K-Akt signal pathway,human cytomegalovirus infection,Kaposi's sarcoma-associated herpes virus infection,proteoglycans in cancer,prostate cancer,etc.The results of molecular docking showed that core active compounds such as luteolin andβ-carotene in Sanzi Yangqin Decoction had good affinity with NCOA2,PGR,PTGS2 and other target genes,which were similar to clinically recommended chemical drugs.[Conclusions]The active compounds luteolin and carotene in Sanzi Yangqin Decoction may mainly bind to targets such as NCOA2,PGR,PTGS2,and regulate multiple signaling pathways such as PI3K-Akt to play a role in treating bronchial asthma.It is intended to provide new ideas for the clinical application and research of Sanzi Yangqin Decoction.
