Medication Regularity and Mechanism of Hypertension Complicated with Diabetes Mellitus(Yin Deficiency Type)Based on Data Mining,Network Pharmacology,and Molecular Docking
SONG Jiayuan
LI Shuling
MA Chun
WANG Yu
YANG Lihua
Abstract：Objective:To explore the medication rules and action mechanisms of traditional Chinese medicine prescriptions for patients with hypertension and diabetes mellitus with Yin deficiency type.Methods:A prescription database was constructed for statistical analysis of the frequency,category,nature and flavor,to meridian tropism of traditional Chinese medicine,and deep mining such as cluster analysis,association analysis,and complex network analysis,to summarize the core drug pairs.After the intersection target of drug pair and disease,protein-protein interactions(PPI)network was constructed and core target was screened for gene ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analysis.The"traditional Chinese medicine-component-target-pathway"network was constructed to screen core components,and the core components and core targets were docked,respectively.Results:A total of 54 articles were included,involving 63 groups of traditional Chinese medicine prescriptions,containing 124 kinds of Chinese herbs,with cumulative frequency of 786.The top three frequently used drugs were Rehmannia glutinosa,Lycium barbarum,and Uncaria rhynchophylla.The proportion of tonifying drugs was the highest one among them.Their main flavors were sweet and cold,and they mainly affect the liver meridian.Association rule analysis identified 10 core drug pair combinations;cluster analysis yielded 4 combinations.The core drug pair of Uncaria-Concha Haliotidis exerted its effects through key components such as quercetin,kaempferol,and yohimbine,targeting TP53,interleukin-6(IL-6),protein kinase B1(AKT1),epidermal growth factor receptor(EGFR),and participated in pathways including Tumor necrosis factor(TNF),interleukin-17(IL-17),advanced glycation end products(AGE)-receptor for advanced glycation end products(RAGE),and mitogen-activated protein kinase(MAPK).Molecular docking showed that HSP90AB1-yohimbine was the complex with the highest binding affinity.Conclusion:Nourishing Yin and suppressing Yang is the main treatment method for Yin deficiency-type hypertension complicated with diabetes mellitus.Uncaria-Concha Haliotidis can exert its therapeutic effect through multiple components,targets,and pathways,this study will provide a reference scheme for clinical treatment.
Keywords：hypertensiondiabetes mellitusdata miningnetwork pharmacologymolecular docking
Publication Date：2025-08-25
Online Publishing Date：2025-09-10(First online date of this platform, not the publication date of the document)
Pages：11( 2425-2435 )