基于网络毒理学和分子对接,探索PPCP对人类消化系统相关的慢性炎症疾病的机制
Jiahao Liu1, Xin Shen1, Yinqiang Fan2
1The First Dongguan Affiliated Hospital, Guangdong Medical University, Dongguan 523808, China; School of Pharmacology, School of Public Health, Guangdong Medical University, Dongguan 523808, China.
Environment international
|January 25, 2026
概括
药品和个人护理产品 (PPCPs) 通过破坏新陈代谢途径,可能导致慢性疾病. 这项研究揭示了保护的分子网络,将PPCP与消化系统疾病,类风湿性关节炎,NAFLD和帕金森病联系起来,这表明跨器官毒性.
科学领域:
- 环境毒理学环境毒理学
- 计算生物学 计算生物学
- 系统生物学 系统生物学
背景情况:
- 制药和个人护理产品 (PPCP) 是新兴的污染物,有可能诱发慢性炎症和代谢疾病.
- 了解PPCP诱导的毒性背后的分子机制对于风险评估和治疗开发至关重要.
研究的目的:
- 研究PPCP诱导代谢障碍和相关慢性疾病的分子机制.
- 在消化系统疾病,类风湿性关节炎 (RA),非酒精性脂肪肝疾病 (NAFLD) 和帕金森病 (PD) 中识别受PPCP影响的共同分子标和途径.
主要方法:
- 使用了网络毒理学和分子对接方法.
- 来自GeneCards,OMIM和STRING数据库的数据集成,以识别交叉目标.
- 进行了蛋白质-蛋白质相互作用 (PPI) 网络分析,基因本体学 (GO) 和基因和基因组的京都百科全书 (KEGG) 途径分析.
主要成果:
- 分别确定了PPCP和研究疾病之间的255,132,128和117个交叉目标.
- 发现了核心枢纽基因 (例如,BCL2,IL1B,PTGS2) 和强烈的分子对接亲和关系,表明了显著的相互作用.
- 发现的PPCP破坏了共享的通路 (例如,AGE-RAGE,PI3K-Akt) 并形成了跨疾病的保存"炎症-亡"轴,其中90%的顶部枢纽基因重叠.
结论:
- 通过保存的分子网络和跨器官相互作用,PPCP可能会产生毒性.
- 已确定的"炎症-亡"轴为缓解PPCP诱导的疾病提供了潜在的治疗点.
- 结果为环境风险评估和跨疾病治疗策略的开发提供了洞察力.
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