Exploration on the Mechanism of Aconiti Lateralis Radix Praeparata-Os Draconis-Ostreae Concha in the Treatment of Insomnia Based on Network Pharmacology and Molecular Docking
Objective To study the mechanism of Aconiti Lateralis Radix Praeparata-Os Draconis-Ostreae Concha in the treatment of insomnia based on network pharmacology and molecular docking techniques.Methods The active components of Aconiti Lateralis Radix Praeparata-Os Draconis-Ostreae Concha were collected,and corresponding action targets were predicted.Insomnia targets were searched on GeneCards,OMIM,TTD and DisGeNET databases.The intersection of compound target and disease target was obtained,and the coincidence target was imported into STRING database to construct a PPI network.Visualization analysis was conducted using Cytoscape 3.9.1 to predict the key targets for treating insomnia with Aconiti Lateralis Radix Praeparata-Os Draconis-Ostreae Concha;Gene ontology(GO)analysis and Kyoto Encyclopedia of Gene and Genome(KEGG)pathway enrichment analysis were performed through Metascape database to obtain potential action pathways.AutoDock Vina 1.1.2 software was used for molecular docking between the core target and the main active components.Results After screening,43 active components of Aconiti Lateralis Radix Praeparata-Os Draconis-Ostreae Concha were obtained,involving 34 action targets of insomnia.The key components included calcium phosphate,benzoylnapelline,diethyllidocaine B,methionine,and new erucic acid B.The core targets were ALB,GSK3B,TGFB1,ESR1,PPARG,SERPINE1,FGFR1,etc.KEGG pathway enrichment analysis showed that these targets were related to pathways in cancer,serotonergic synapse,MAPK signaling pathway,Dopaminergic synapse,etc.Molecular docking showed that the benzoylnapelline,Demethyldelavaine,and Neokadsuranic acid B had higher affinity with ALB,GSK3B and TGFB1.Conclusion Aconiti Lateralis Radix Praeparata-Os Draconis-Ostreae Concha may influence the expression of ALB,GSK3B,TGFB1,ESR1,PPARG,SERPINE1,FGFR1,etc.through calcium phosphate,benzoylnapelline,Demethyldelavaine B,L-Methionine,Neokadsuranic acid B and other components,which can regulate neurotransmitter levels,inflammatory factors and other signaling pathways,and finally plays a role in the treatment of depression and insomnia.
万方数据
维普
