隐结构模型与网络药理学分析"黄芪-川芎"药对的配伍规律及其治疗急性心肌梗死的潜在机制OA

Objective To explore the clinical compatibility rules of Huangqi(Astragali Radix)-Chuanxiong(Chuanxiong Rhizoma)medicinal pair through data mining and network pharmacology methods,and to further investigate the multi-component and multi-target molecular mechanisms underlying its therapeutic effects on acute myocardial infarction(AMI).Methods Based on the Dictionary of Chinese Medicine Formulas,formulas containing the Huangqi(Astragali Radix)-Chuanxiong(Chuanxiong Rhizoma)medicinal pair were screened for basic statistical analysis,association rule analysis,and latent structure model analysis.Network pharmacology was utilized to predict active components,targets,and pathways,and molecular docking was performed to verify the binding affinity between core components and key targets.Results A total of 200 formulas were included in the basic statistical analysis.The medicinal pair was most frequently combined with Danggui(Angelicae Sinensis Radix),Gancao(Glycyrrhizae Radix et Rhizoma),and Renshen(Ginseng Radix et Rhizoma),with a dominant dosage ratio of 1:1.Association rule analysis revealed strong associations of the core medicinal pair with Danggui(Angelicae Sinensis Radix),Gancao(Glycyrrhizae Radix et Rhizoma),and Renshen(Ginseng Radix et Rhizoma).The latent structure model extracted seven latent variables and identified a module centered on"spleen-strengthening"[Fuling(Poria)and Baizhu(Atractylodis Macrocephalae Rhizoma)],which was closely linked to the"qi-tonifying"module.Network pharmacology screened 22 active components and 116 AMI-related intersecting targets,significantly enriched in tumor necrosis factor(TNF),phosphatidylinositol 3-kinase(PI3K)-protein kinase B(Akt),and other signaling pathways.Molecular docking demonstrated that the binding energies of core components such as quercetin and kaempferol with key targets including TNF and ESR1 were all less than-8.0 kcal/mol,indicating strong affinity.Conclusion The Huangqi(Astragali Radix)-Chuanxiong(Chuanxiong Rhizoma)medicinal pair exhibits a modular compatibility pattern characterized by"qi-tonifying and blood-circulating as the foundation,and spleen-strengthening as the pivot".It may exert therapeutic effects on AMI through multi-pathway synergy(inhibition of apoptosis,anti-inflammation,and endothelial protection).