研究草莓提取物对柴油烟尘诱导的果蝇运动功能障碍的神经保护作用：一项体内和计算机模拟研究。
Investigating the neuroprotective effects of strawberry extract against diesel soot-induced motor dysfunction in Drosophila: an in-vivo and in-silico study.
作者信息
Ravindranath Adithi Gopadi, Muralidhar Ananya, Gambhir Nidhi Narayan, Chatterjee Jhinuk
机构信息
Department of Biotechnology, PES University, Bangalore, 560085 India.
出版信息
In Silico Pharmacol. 2025 Apr 16;13(2):58. doi: 10.1007/s40203-025-00344-2. eCollection 2025.
UNLABELLED
Environmental pollutants including diesel soot, have been known to contribute to neurological disorders. Previous studies highlight the neuroprotective effects of strawberry-derived compounds. This work explores the impacts of diesel soot and strawberry extract in movement-related disorders. analysis assessed compounds from HPLC/GCMS in the literature of soot and strawberry extract for ADME properties and blood-brain barrier permeability, selecting six compounds and four motor function-related proteins (SOD1, TARDBP, FUS, MAPT) with orthologs. Homology modeling generated protein structures, molecular docking assessed binding affinities. MLSD examined combined interactions, with RMSD validating accuracy. Docking scores matched neuroprotective controls (quercetin, resveratrol), while differed for negative control (formaldehyde). Phenanthrene and anthocyanin strongly bound to FUS (- 7.60 ± 0.26 kcal/mol, - 7.1 ± 0.26 kcal/mol) and cocoon (- 6.5 ± 0.39 kcal/mol, - 7.23 ± 0.45 kcal/mol). MLSD yielded - 3.00 ± 0.24 kcal/mol and - 3.12 ± 0.11 kcal/mol respectively. In-vivo assays in exhibited soot impaired movement (p = 0.0006), while strawberry improved it (p = 0.0003) with partial recovery in combined exposure (p = 0.0003). Strawberry enhanced cold stress recovery (p = 0.0048), climbing (p < 0.0001), and vortex recovery (p = 0.0003). One-way ANOVA confirmed significant effects on crawling in males ( = < = ) and female flies ( = < ), with normality confirmed by Shapiro-Wilk test (p > 0.05). Toxicant exposure accelerated mortality, while strawberry improved thermotolerance. Combined exposure provided partial protection with minor sex differences. Findings highlight strawberries' neuroprotective role in counteracting diesel soot toxicity, even under combined exposure.
SUPPLEMENTARY INFORMATION
The online version contains supplementary material available at 10.1007/s40203-025-00344-2.
未标记
已知包括柴油烟灰在内的环境污染物会导致神经紊乱。先前的研究强调了草莓衍生化合物的神经保护作用。这项工作探讨了柴油烟灰和草莓提取物对运动相关紊乱的影响。分析评估了文献中来自高效液相色谱/气相色谱-质谱联用仪（HPLC/GCMS）的烟灰和草莓提取物的化合物的吸收、分布、代谢和排泄（ADME）特性以及血脑屏障通透性，选择了六种化合物和四种与运动功能相关的蛋白质（超氧化物歧化酶1（SOD1）、TAR DNA结合蛋白43（TARDBP）、融合蛋白（FUS）、微管相关蛋白tau（MAPT））及其直系同源物。同源建模生成蛋白质结构，分子对接评估结合亲和力。多配体同时对接（MLSD）检查联合相互作用，均方根偏差（RMSD）验证准确性。对接分数与神经保护对照（槲皮素、白藜芦醇）匹配，而与阴性对照（甲醛）不同。菲和花青素与FUS（-7.60±0.26千卡/摩尔，-7.1±0.26千卡/摩尔）和茧蛋白（-6.5±0.39千卡/摩尔，-7.23±0.45千卡/摩尔）强烈结合。MLSD分别产生-3.00±0.24千卡/摩尔和-3.12±0.11千卡/摩尔。体内试验表明，烟灰会损害运动能力（p = 0.0006），而草莓可改善运动能力（p = 0.0003），联合暴露时可部分恢复（p = 0.0003）。草莓可增强冷应激恢复能力（p = 0.0048）、攀爬能力（p < 0.0001）和涡旋恢复能力（p = 0.0003）。单因素方差分析证实对雄性果蝇（= < =）和雌性果蝇（= <）的爬行有显著影响，夏皮罗-威尔克检验证实数据呈正态分布（p > 0.05）。接触有毒物质会加速死亡，而草莓可提高耐热性。联合暴露提供了部分保护，性别差异较小。研究结果突出了草莓在抵消柴油烟灰毒性方面的神经保护作用，即使在联合暴露的情况下也是如此。
补充信息
在线版本包含可在10.1007/s40203-025-00344-2获取的补充材料。
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