Assessing the neurotoxic risks of triethyl citrate in daily environmental exposure using network toxicology and molecular docking

IF 6.1 2区 环境科学与生态学 Q1 ENVIRONMENTAL SCIENCES Ecotoxicology and Environmental Safety Pub Date : 2025-06-01 Epub Date: 2025-04-23 DOI:10.1016/j.ecoenv.2025.118225
Wenhao Ouyang , Chenjie Zhu , Yudi Li , Hong Huang , Fangming Li , Li Ling
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Abstract

Synthetic chemicals like triethyl citrate (TEC) are widely used in food packaging, pharmaceuticals, and cosmetics. Despite being considered safe, there are concerns about TEC's potential neurotoxic effects. In this study, we used network toxicology and molecular docking to examine TEC's impact on the nervous system. We identified 229 targets related to neurotoxicity and found that TEC may affect key processes such as cell death, inflammation, and neuronal health. Molecular docking showed strong interactions between TEC and proteins like MAPK3, SRC, CASP3, TNF, and BCL2, suggesting a risk of neural damage and the need for further research to assess TEC's safety.
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应用网络毒理学和分子对接技术评估日常环境暴露中柠檬酸三乙酯的神经毒性风险
柠檬酸三乙酯(TEC)等合成化学品广泛用于食品包装、药品和化妆品。尽管被认为是安全的,但人们担心TEC的潜在神经毒性作用。在这项研究中,我们使用网络毒理学和分子对接来研究TEC对神经系统的影响。我们确定了229个与神经毒性相关的靶点,并发现TEC可能影响细胞死亡、炎症和神经元健康等关键过程。分子对接显示TEC与MAPK3、SRC、CASP3、TNF和BCL2等蛋白之间存在强相互作用,提示存在神经损伤风险,需要进一步研究评估TEC的安全性。
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来源期刊
CiteScore
12.10
自引率
5.90%
发文量
1234
审稿时长
88 days
期刊介绍: Ecotoxicology and Environmental Safety is a multi-disciplinary journal that focuses on understanding the exposure and effects of environmental contamination on organisms including human health. The scope of the journal covers three main themes. The topics within these themes, indicated below, include (but are not limited to) the following: Ecotoxicology、Environmental Chemistry、Environmental Safety etc.
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