基于网络毒理学探究BP-3及代谢产物单独及其联合暴露对内分泌系统的影响及机制研究
摘要
系统的损伤效应及其分子机制。方法：运用CTD数据库筛选BP-3及三种代谢产物的内分泌毒性相关靶点，通过
STRING数据库构建蛋白互作网络，借助DAVID数据库进行GO功能和KEGG通路富集分析，利用Cytoscape软件
构建化合物-靶点-通路网络，并通过AutoDock进行分子对接验证关键靶点的结合活性。结果：共获得97个内分
泌毒性相关靶点，PPI 网络分析筛出 INS、TP53、CTNNB1、PTEN、CCND1、CASP3、HIF1A 等 7 个核心靶点。
GO分析显示靶点主要参与异生素刺激反应、类固醇生物合成、核受体信号通路等过程；KEGG富集涉及癌症通
路、甲状腺癌、p53信号通路等。分子对接表明BP-3及其代谢产物与INS、TP53、CCND1、CASP3具有较强结
合能（≤-5.8 kcal·mol-1）。结论：BP-3及代谢产物通过多靶点、多通路协同作用干扰内分泌功能，INS、TP53、
CCND1、CASP3是关键介导分子，为BP-3类化合物的风险评估提供了理论依据。
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