Exploring the Mechanism of Action of Matricaria chamomilla L.in the Treatment of Asthma based on Network Pharmacology and Molecular Docking Technology
Objective:To investigate the potential mechanism of action of Matricaria chamomilla L.in the treatment of asthma by using network pharmacology and molecular docking techniques,based on the analysis of the chemical components of Matricaria chamomilla L.by the previous UHPLC-Q-Orbitrap-MS technique.Methods:Based on the results of chemical composition identification of Matricaria chamomilla L.,Swiss Target Prediction was used to excavate the active ingredients and corresponding action targets;OMIM,GeneCards,TTD,PharmGkb and DisGeNet databases were used to obtain the targets of asthma;the common targets of active ingredients and disease targets were obtained after screening.The Venny Diagram was constructed for the common targets of the effective active ingredients and the disease targets obtained after screening;the target protein-protein interaction(PPI)network was established using the STRING database;the common targets of"Matricaria chamomilla L.active ingredient-asthma disease"were analyzed by GO annotation and KEGG signal pathway enrichment using Metascape database.The network model of"Matricaria chamomilla L.active ingredient-asthma target-pathway"was established by Cytoscape software;molecular docking verification of the key active ingredients in Matricaria chamomilla L.and the core protein of the target protein interaction was performed by Autodock and PyMol software.Results:30 active ingredients from Matricaria chamomilla L.,and 52 common targets were identified for Matricaria chamomilla L.in the treatment of asthma,among which the core targets were TNF,MMP-9,STAT3,PTGS2,EGFR,TLR4,NOS2,JAK1,PLAUR,PTGS1.Signaling pathways were mainly enriched in JAK-STAT,IL-17,NF-κB,arachidonic acid metabolism,etc.The molecular docking results showed that the core target TNF and core components docking results were less than 0 kcal·mol-1,and the results showed a good binding activity.Conclusion:Matricaria chamomilla L.may act synergistically through multiple components,multiple targets and multiple pathways to treat asthma,providing a theoretical basis for molecular mechanisms of Matricaria chamomilla L.in the treatment of asthma.
asthmaMatricaria chamomilla L.network pharmacologymolecular dockingexploration of mechanisms of action
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