Investigating the neuroprotective effects of strawberry extract against diesel soot-induced motor dysfunction in Drosophila: an in-vivo and in-silico study.

In silico pharmacology Pub Date : 2025-04-16 eCollection Date: 2025-01-01 DOI:10.1007/s40203-025-00344-2
Adithi Gopadi Ravindranath, Ananya Muralidhar, Nidhi Narayan Gambhir, Jhinuk Chatterjee
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Abstract

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. In-silico 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 D. melanogaster 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 D. melanogaster 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 (F (9,20) = 37.67, p < 0.0001, η 2  = 0.53) and female flies (F (9,20) = 70.10, p < 0.0001), 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.

研究草莓提取物对柴油烟灰诱导的果蝇运动功能障碍的神经保护作用:一项体内和计算机研究。
众所周知,包括柴油烟尘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尘和草莓提取物对运动相关疾病的影响。in -silico分析了烟灰和草莓提取物文献中化合物的ADME特性和血脑屏障通透性,选择了6种化合物和4种运动功能相关蛋白(SOD1, TARDBP, FUS, MAPT),这些蛋白与黑胃草同源。同源性建模生成蛋白结构,分子对接评估结合亲和力。MLSD检查了组合相互作用,RMSD验证了准确性。对接评分与神经保护对照组(槲皮素,白藜芦醇)相匹配,而阴性对照组(甲醛)则不同。菲和花青素与FUS(- 7.60±0.26 kcal/mol, - 7.1±0.26 kcal/mol)和茧(- 6.5±0.39 kcal/mol, - 7.23±0.45 kcal/mol)结合较强。MLSD分别产生- 3.00±0.24 kcal/mol和- 3.12±0.11 kcal/mol。在体内试验中,黑腹大鼠的运动能力受到烟尘的损害(p = 0.0006),而草莓则改善了黑腹大鼠的运动能力(p = 0.0003),并在联合暴露下部分恢复(p = 0.0003)。草莓增强了冷胁迫恢复(p = 0.0048)、爬升(p F (9,20) = 37.67, p 0.0001, η 2 = 0.53)和雌蝇(F (9,20) = 70.10, p 0.0001),夏皮罗-威尔克检验(p > 0.05)证实其正常。毒物暴露加速了死亡率,而草莓则提高了耐热性。联合暴露提供了部分保护,性别差异较小。研究结果强调了草莓在对抗柴油烟灰毒性方面的神经保护作用,即使在联合暴露下也是如此。补充信息:在线版本提供补充资料,网址为10.1007/s40203-025-00344-2。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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