Mechanism of action of Poria cocos-Semen Ziziphi Spinosae drug combination in treatment of generalized anxiety disorder:A study based on network pharmacology and molecular docking
Objective:To investigate the mechanism of action of Poria cocos-Semen Ziziphi Spinosae drug combination in the treatment of generalized anxiety disorder(GAD)based on network pharmacology and molecular docking.Methods:With oral bioavailability and drug-likeness as the standard,TCMSP database and SwissTarget Prediction platform were used to predict and identify the active components and targets of Poria cocos and Semen Ziziphi Spinosae,and GeneCards database was used to identify the action targets for the treatment of GAD.Cytoscape 3.7.2 software was used to establish a protein-protein interaction network for Poria cocos-Semen Ziziphi Spinosae and identify the core targets.Metascape database was used to perform GO functional enrichment a-nalysis and KEGG pathway enrichment analysis and predict the mechanism of action of the drug combina-tion.AutoDock Vina and PyMOL were used to perform molecular docking validation for the main active components and key targets of the Poria cocos-Semen Ziziphi Spinosae drug combination.Results:A total of 15 active compo-nents of Poria cocos and 9 active components of Semen Ziziphi Spinosae were obtained,with 85 intersecting targets with GAD,and 10 key targets were obtained,including dopamine-2 receptor and 5-hydroxytryptamine,which were involved in the key metabolic pathways for regulating neuroactive ligand-receptor interaction,5-hydroxytryptamine synapses,and dopaminergic synapses,as well as various biological processes for signal transduction,endocrinology and metabolism,and circulatory system regulation.Molecular docking showed a binding energy of ≤-4.25 kcal/mol between the 4 active components and the key targets obtained,suggesting that there was a relatively good bind-ing activity between the active components of drugs and the key intersecting targets.Conclusion:Poria cocos-Semen Ziziphi Spinosae exerts a therapeutic effect on anxiety by regulating the targets such as DRD2,ESR1,and HTR2A and the pathways such as neuroactive ligand-receptor interaction,which provides a reference for research on the mechanism of action of Poria cocos-Semen Ziziphi Spinosae drug combination in the treatment of GAD.
generalized anxiety disorderPoria cocos-Semen Ziziphi Spinosaenetwork pharmacologymolecular dockingmechanism of action
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