Tropical Journal of Pharmaceutical Research

Original Research Article | OPEN ACCESS

Identification of the components and molecular targets of Guanxin Danshen Dripping Pills for psycho-cardiology treatment based on network pharmacology and ultra-performance liquid chromatography-tandem mass spectrometry

Guanying Zhang¹, Yeqing Hu², Yuqing Huang¹, Wanqing Liu¹, Zixuan Qian¹, Shirong Lin¹, Tao Yang^1,2, Jihan Huang^1,2

¹Center for Drug Clinical Research, Institute of Interdisciplinary Integrative Medicine Research, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China; ²Department of Cardiology, Cardiovascular Research Institute, Branch of National Clinical Research Center for Chinese Medicine Cardiology, Shuguang Hospital affiliated to Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China.

For correspondence:- Jihan Huang Email: huangjihan@shutcm.edu.cn Tel:+862151322420

Accepted: 30 January 2023 Published: 28 February 2023

Citation: Zhang G, Hu Y, Huang Y, Liu W, Qian Z, Lin S, et al. Identification of the components and molecular targets of Guanxin Danshen Dripping Pills for psycho-cardiology treatment based on network pharmacology and ultra-performance liquid chromatography-tandem mass spectrometry. Trop J Pharm Res 2023; 22(2):389-397 doi: 10.4314/tjpr.v22i2.23

© 2023 The authors.
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Abstract

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.

Keywords: Guanxin Danshen, Psycho-cardiology, Critical pathways, Molecular targeted, Network pharmacology