世界科学技术-中医药现代化2026，Vol.28Issue(4)：1217-1233,17.DOI:10.11842/wst.20250429003
基于网络毒理学、分子对接技术及实验验证探讨注射用血栓通致类过敏反应的作用机制
Mechanism of Pseudo-allergic Reactions Induced by Xueshuantong Injection Based on Network Toxicology,Molecular Docking Technology and Experimental Verification
摘要
Abstract
Objective The mechanism of the pseudo-allergic reactions(PARs)induced by Xueshuantong injection(XSTI)was predicted using the method of network toxicology,and was preliminarily verified through molecular docking technology and in vivo animal experiments.Methods Through the method of network toxicology,the active ingredients of XSTI and their action targets were screened.A"component-target-disease"network was constructed,and gene ontology(GO)functional enrichment analysis and Kyoto encyclopedia of genes and genomes(KEGG)pathway enrichment analysis were carried out to preliminarily explore its potential mechanism of action.Molecular docking technology was used to verify the binding activity between the key active ingredients and the core targets.Finally,experimental verification was carried out.The effects of XSTI on the indicators related to PARs were observed through animal experiments,and the results of network toxicology and molecular docking were verified at the in vivo level.Results XSTI was predicted to interact with 863 potential targets,among which 187 overlapping targets were shared with PARs.Key targets including interleukin-6(IL-6),tumor necrosis factor(TNF),tumor protein 53(TP53),epidermal growth factor receptor(EGFR),serine/threonine-protein kinases 1(AKT1),and signal transducer and activator of transcription(STAT3)were identified,primarily associated with the TNF,janus tyrosine kinase(JAK)/STAT3 and phosphatidylinositol 3-kinase(PI3K)-AKT signaling pathway.In vivo experiments demonstrated that animals in the low-dose XSTI group exhibited systemic symptoms classified as allergen-like reaction-positive,though no significant elevation in blood biomarker levels was detected.Conversely,the high-dose XSTI group displayed systemic symptoms ranging from allergen-like reaction-positive to strongly positive,accompanied by a marked reduction in IgE antibody levels and a significant increase in β-hexosaminidase levels in blood.Further validation of core targets in mouse skin tissues revealed that mRNA expression levels of TNF and TP53 in high-dose XSTI group were significantly elevated compared to the blank control group.Conclusion This study elucidates the underlying mechanisms of XSTI-induced PARs,providing a theoretical foundation and experimental evidence to support clinical medication safety and the prevention and control of adverse drug reactions.关键词
注射用血栓通/类过敏反应/网络毒理学/分子对接技术/实验验证Key words
Xueshuantong injection/Pseudo-allergic reactions/Network toxicology/Molecular docking technology/Experimental verification分类
医药卫生引用本文复制引用
李霞,曲木达尔木,张秀盟,王佳怡,万小燕,唐海龙,邵晓妮..基于网络毒理学、分子对接技术及实验验证探讨注射用血栓通致类过敏反应的作用机制[J].世界科学技术-中医药现代化,2026,28(4):1217-1233,17.基金项目
四川省中医药管理局中医药科研专项资助-面上项目科学技术研究专项课题(2024MS600):基于网络药理学实验验证和Logistic回归模型对我院血栓通注射剂的临床不良反应研究,负责人:李霞. （2024MS600）
