评估几种三醇杀菌剂对水生生物的毒性
Bianca-Vanesa Boros1,2, Diana-Larisa Roman1,2, Adriana Isvoran1,2
1Department of Biology-Chemistry, Faculty of Chemistry, Biology, Geography, West University of Timisoara, 16 Pestalozzi, 300115 Timisoara, Romania.
Metabolites
|April 26, 2024
概括
三醇杀菌剂,如美特可纳和四可纳,对水生植物和生物有高度的毒性. 这些杀菌剂通过抑制关键蛋白质来破坏Lemna小的光合作用和排毒.
科学领域:
- 环境毒理学环境毒理学
- 植物生态生理学植物生态生理学
- 计算化学是一种计算化学.
背景情况:
- 杀菌剂对于作物保护至关重要,但对水生生态系统构成风险.
- 了解特定杀菌剂对非标水生生物的分子水平影响至关重要.
研究的目的:
- 评估六种三醇杀菌剂 (flutriafol,metconazole,myclobutanil,tebuconazole,tetraconazole和triticonazole) 对Lemna minor.水生植物的生态毒性.
- 通过计算和实验方法研究杀剂效应背后的分子机制.
- 预测这些杀菌剂对其他水生生物的毒性.
主要方法:
- 实验确定EC50值用于Lemna小的生长抑制.
- 使用TEST,ADMETLab2.0和admetSAR2.0.0进行计算毒理学.
- 分子对接模拟以评估与光系统II蛋白质和谷氨酸S转移酶的结合亲和力.
主要成果:
- 甲可纳和四可纳对Lemna小的毒性很高 (EC50 <1 mg/L),而特布可纳,弗拉特里亚和密克罗布坦尼尔则具有中等毒性,而三可纳有轻微的毒性.
- 计算模型预测了甲可纳和四可纳对Pimephales promelas,Daphnia magna和Tetrahymena pyriformis的高毒性.
- 分子对接揭示了三醇杀菌剂对光系统II中的C43和C47蛋白质的强烈结合,抑制了叶绿素的结合,从而抑制了光合作用. 还观察到对谷氨S转移酶的抑制.
结论:
- 三醇杀菌剂对水生环境构成重大风险,特别是影响Lemna minor的生长和生理功能.
- 分子机制涉及光合作用和解毒途径的干扰.
- 结合实验和计算方法是有效的评估杀菌剂生态毒性和预测环境风险.
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