Research on the mechanism of Danhong injection in the treatment of acute myocardial infarction based on network pharmacology and molecular docking
10.13699/j.cnki.1001-6821.2024.05.008
- VernacularTitle:基于网络药理学和分子对接探讨丹红注射液治疗急性心肌梗死的作用机制
- Author:
Chang-Hu KE
1
;
Ya-Qing WU
;
Hui-Min HUANG
;
Hui YAN
Author Information
1. 湖北医药学院附属国药东风总医院药学部,湖北十堰 442008
- Keywords:
Danhong injection;
acute myocardial infarction;
network pharmacology;
molecular docking;
mechanism of action
- From:
The Chinese Journal of Clinical Pharmacology
2024;40(5):668-672
- CountryChina
- Language:Chinese
-
Abstract:
Objective To predict the mechanism of Danhong injection in acute myocardial infarction based on network pharmacology and molecular docking.Methods The chemical ingredients of Danhong injection were collected by traditional Chinese medicine systems pharmacology database and analysis platform(TCMSP),while Swiss Target Prediction was used to predict the corresponding targets of ingredients.The targets of acute myocardial infarction were retrieved in human gene database(GeneCards),online Mendelian inheritance in man(OMIM)and gene-disease association database(DisGeNET).Venny 2.1 online software was used to obtain the common targets of drugs-disease,and then the"drug-compound-target-disease"network diagram was constructed by using the software Cytoscape 3.8.2.The STRING database was used to draw the protein-protein ineraction network,and the perform gene ontology(GO)function and Kyoto encyclopedia of genes and genomes(KEGG)pathway enrichment analysis were carried out through the database for annotation,visualization,and integrated discovery(DAVID),and the AutoDock platform was applied in verifying the molecular docking of active components and protein targets.Results The 63 active components of Danhong injection could regulate 137 targets and 132 pathways to treat acute myocardial infarction.Przewaquinone C,luteolin,baicalein,sclareol,kaempferol,quercetagetin and other active compounds,which could mediate C-type lectin receptor,tumor necrosis factor,endocrine resistance,prolactin,phosphatidylinositol-3-kinases-serine/threonine protein kinase,Janus-activated kinase singal transducers and activators of transcriprion and other signaling pathways through tumor necrosis factor,RAC-alpha serine/threo-nine protein kinase,interleukin-1 beta,steroid receptor coactivator,mitogen-activated protein kinase 3,signal transducer and activator of transcription 3 and other key target proteins.The result of molecular docking showed that the targets and the components had a certain degree of binding.Conclusion Danhong injection can participate in the treatment of acute myocardial infarction through multiple components,targets and pathways,which provides a theoretical basis for the clinical application of Danhong injection and the mechanism of its treatment of acute myocardial infarction.
