Investigating the mechanism of action of Mahuang Xixing Fuzi Decoction in the treatment of morbid sinus node syndrome based on network pharmacology and molecular docking technology
Objective To study the active ingredients and their potential mechanism of action of Mahuang Xixing Fuzi Decoction in the treatment of sick sinus syndrome(SSS)by using network pharmacology and molecular docking technology.Methods On this basis,the contents of GeneCards,OMIM and Disgent databases,combined with TCMSP database,were used to obtain the pharmacological substance basis of ephedra and epimedium fine-octopus soup and the corresponding targets.Using the Uniprot database,gene annotation of the targets was carried out,and a network diagram was constructed using Cytoscape 3.9.0 software.A protein network interactions(PPI)diagram was constructed based on the STRING database,and filtered according to the conditions of"median center","compact density"and"node linkage".The core targets of Ephedra and Herba Epimedium Heterophyllum were obtained for the treatment of SSS.Combined with the DAVID database,the core target genes of the disease were molecularly docked with the potential active ingredients using the AutoDock software with GO and KEGG technologies,and the key targets were visualized using the Pymol software as a platform.Results The results showed that 75 active ingredients and 646 active targets were obtained,and 1287 SSS disease targets were identified,of which 108 intersected with SSS,including NR3C1,AKT1,ESR1,TNF,CASP3,EGFR,and 6 core targets.The screening results showed that there were 697 GO terms and 137 KEGG signaling pathways.By molecular docking,it was found that the interaction ability with target proteins was good.Conclusion This study proposed a"multi-component-multi-target-multi-pathway"pharmacodynamic material basis,which provides a basis for clinical application.
万方数据
维普
