Study on the Mechanism of Huangqi(Astragali Radix)-Dangshen(Codonopsis Radix)in the Treatment of Chronic Heart Failure Based on Network Pharmacology and Molecular Docking
GUO Fuxin
WANG Fengrong
Abstract：Objective To explore the mechanism of Huangqi(Astragali Radix)-Dangshen(Codonopsis Radix)in the treatment of chronic heart failure(CHF)based on network pharmacology and molecular docking methods.Methods This study is based on network pharmacology and molecular docking methods,using a traditional Chinese medicine system pharmacology analysis platform to screen the active ingredients and their targets of Huangqi(Astragali Radix)-Dangshen(Codonopsis Radix).At the same time,CHF related targets were obtained through the GeneCards database.After taking the intersection of drug targets and disease targets,a"drug active ingredient target"interaction network diagram was constructed using Cytoscape software.Further utilize the Metascape database for gene ontology(GO)functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis.Use AutoDock Vina software to perform molecular docking validation between key active ingredients and core targets to evaluate their binding ability.Results A total of 21 active ingredients and 224 intersecting targets related to CHF were screened from Huangqi(Astragali Radix)-Dangshen(Codonopsis Radix)drugs.The main active ingredients include 7-methoxy-2-methyl isoflavones,luteolin,and quercetin.Through protein interaction network analysis,key targets such as myeloid leukemia sequence 1,protein kinase B,heat shock protein 90 alpha family member A,transcription factor AP-1,estrogen receptor 1,cyclin D1,B-cell lymphoma 1,myeloid tumor virus oncogene,caspase 3,and FBJ mouse osteosarcoma virus oncogene were identified.GO enrichment analysis showed that these targets are mainly involved in biological processes such as response to oxygen concentration,response to decreased oxygen levels,and response to steroid hormones.KEGG pathway analysis showed that related signaling pathways mainly included cancer pathway,chemical carcinogenesis receptor activation,lipid and atherosclerosis,prostate cancer,phosphatidylinositol 3-kinase protein kinase B signaling pathway,fluid shear force and atherosclerosis,human cytomegalovirus infection,hepatitis B,endocrine resistance,and the late glycation end products receptor signaling pathway of diabetes complications.The molecular docking results showed that the binding energy between quercetin and myeloid leukemia sequence 1 was the lowest(-8.6 kcal/mol),indicating that the two have the best affinity;The docking score of protein kinase B with 7-methoxy-2-methylisoflavone,quercetin,and luteolin was 0,indicating the existence of potential interactions.Conclusion Huangqi(Astragali Radix)-Dangshen(Codonopsis Radix)medicine mainly uses 7-methoxy-2-methylisoflavone,luteolin,and quercetin as the main active ingredients to treat chronic heart failure through multiple pathways and targets,providing more reliable theoretical basis for clinical research.
Keywords：chronic heart failureHuangqi(Astragali Radix)-Dangshen(Codonopsis Radix)network pharmacologymolecular docking
Publication Date：2025-11-20
Online Publishing Date：2026-07-17(First online date of this platform, not the publication date of the document)
Pages：9( 23-31 )