Exploring the mechanism of action of Myristica fragrans houtt in the treatment of myocardial ischemia based on network pharmacology and molecular docking
Objective To explore the mechanism of action of the Mongolian drug,Myristica fragrans houtt,in the treatment of myocardial ischemia(MI)using network pharmacology and molecular docking.Methods The main chemical components and targets of Myristica fragrans houtt were obtained by searching the TCM systematic pharmacology database,PubChem,SwissTargetPrediction and other databases.The hu-man genome database,online human Mendelian genetic data system,and drug target database were used to ob-tain protein targets related to MI,microbiotics letter was used to construct Myristica fragrans houtt active in-gredient-MI intersecting target network,String database was used to construct Myristica fragrans houtt pro-tein interactions network and visualized,DAVID database was used to perform gene ontology enrichment anal-ysis and Kyoto gene and genome encyclopedia pathway analysis.AutoDock Vina software was used to validate the molecular docking calculations,and Pymol software was used to visualize the docking results and predict the mechanism of action.Results The potential targets of nine pharmacologically active components of Myris-tica fragrans houtt and 195 intersecting target genes related to MI were finally obtained,and AKT1,clearin,epidermal growth factor receptor,ESR1 and SRC may be important therapeutic targets.Myristica fragrans houtt in the fight against MI covers the regulation of cell metabolism,cell death phenomena,such as apoptosis and the dynamic balance of the cell cycle,and other biological processes,and may be used to treat MI by modu-lating the regulation of inflammatory mediators including the FoxO signaling pathway,the ErbB signaling pathway,the TRP channel,and the phosphatidylinositol-3 kinase/protein kinase B signaling pathway.The re-sults of the molecular docking showed that the core components and the core targets had a better binding en-ergy.Conclusion Myristica fragrans houtt may achieve effective intervention and protection against MI injury through a multi-component,multi-target,multi-pathway approach.
Myristica fragrans houttMyocardial ischemiaTherapyNetwork pharmacologyMolecular dockingMechanism of action
万方数据
维普
