Identification of the components and molecular targets of Guanxin Danshen Dripping Pills for ps ycho cardiology treatment based on network pharmacology and ultra performance liquid ch r omatography tandem mass spectrometry

Purpose: To explore the molecular targets of Guanxin Danshen Dripping Pills (GXDS) in regulating psycho-cardiology disease through identifying its components by UPLC-MS/MS and network pharmacology approach. Methods: Ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS) was adopted to determine GXDS’ main constituents. SwissTargetPrediction and the similarity ensemble approach were employed to predict possible molecular targets. Targets for psycho-cardiological disease were identified from the GeneCards database. The GXDS components overlapping these targets were identified using Venny web tool (version 2.1.0). Functional enrichment analysis was performed using Gene Ontology knowledgebase, while enrichment analysis of Kyoto Encyclopedia of Genes and Genomes (KEGG) pathways was undertaken. In Cytoscape, target-pathway, pathway-target, and compound-target networks were constructed. Results: Among the 37 chemical components identified through UPLC-MS/MS, 19 were combined with 63 psycho-cardiological disease targets, which were subjected to gene ontology enrichment analysis to obtain terms corresponding to the sub-ontologies of cellular components, molecular functions, and biological processes (30, 84, and 1188, respectively). Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis revealed 109 related pathways. Conclusion: This study identified GXDS components, combined them through network pharmacology analysis, and explored the material basis and targets of the therapeutic effect of GXDS on psycho-cardiological disease. Thus, GXDS is a potential candidate for use in the clinical treatment of psycho-cardiological diseases