油皮Blighia sapida对暴露于煤油的Clarias gariepinus行为和血液生化破坏的保护潜力:体内和计算机评价

M.B. Adekola , O.C. Ojelade , S.A. Olurode , T.O. Adebowale , A.O. Akinde , J.T. Apata , A.F. Adesina , P. Oyeyemi , C.U. Alichi , O.T. Ajala
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引用次数: 0

摘要

石油产品的排放对水生生物和环境构成了重大的毒理学风险,破坏了可持续发展目标(SDG 14)。有血血Blighia sapida所属的sapinaceae家族成员已被用于治疗血液、心脏、泌尿和精神疾病。采用行为学、生物化学、血液学指标和计算机评价等方法,研究了白螺旋藻茎皮乙醇提取物(EE)对鸡尾Clarias gariepinus亚成虫的保护作用。方法将189尾加里平Clarias随机分为9组(G),每组3只,每组7尾,组成27个试验池。G1:对照组,G2: 100 mL煤油,G3: 200 mL煤油,G4: 100 mL煤油+ 50 mg/kg bwt。EE, G5: 100 mL煤油+ 100 mg/kg bwt。EE, G6: 100 mL煤油+ 150 mg/kg bwt。EE, G7: 200 mL煤油+ 50 mg/kg bwt。EE, G8: 200 mL煤油+ 100 mg/kg bwt。EE, G9: 200 mL煤油+ 150 mg/kg bwt.EE。每隔一天在30 L的塑料水族箱中重复实验设置,持续28天。使用焦点采样技术记录治疗前和治疗过程中的行为参数,如主动游泳、攻击、跳跃、吸气、缓慢运动和进食反应。采用气相色谱-质谱法(GC-MS)对乙醇提取物进行分析。在硅分子对接研究中分析了与CYP450 2E1的结合相互作用。结果在实验结束时,观察到的行为改变以剂量依赖的方式正常化,提取物减轻了煤油引起的生化破坏,降低了ALT, AST和肌酐水平。在100和200毫升煤油暴露时,血液学紊乱水平恢复到接近控制值。然而,EE对煤油的影响有所改善。硅分析显示,在提取物中鉴定的化合物与CYP 450 2E1之间存在高负结合相互作用。与标准药物腺苷甲硫氨酸(-6.6 kCal/mol)相比,更好的对接分数进一步验证了在刺草乙醇提取物中鉴定出的前三种化合物[9-十八烯酸(-7.9 kCal/mol), (E)-, Hexadecanamide (-7.5 kCal/mol), 9-十八烯酰胺,(Z)- (-7.8 kCal/mol)]对分子蛋白靶标的保护潜力。该研究表明,白螺旋体提取物有望成为一种可持续的干预措施,以对抗煤油引起的水生生物毒性。此外,从这种植物的提取物中提取的前三种化合物,与标准化合物不同,表现出足够的药物样特性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
The protective potential of Blighia sapida on the behavioural and hematobiochemical disruption in kerosene-exposed Clarias gariepinus: In Vivo and In Silico evaluation

Introduction

The discharge of petroleum products poses significant toxicological risks to aquatic life and the environment, undermining Sustainable Development Goals (SDG 14). Members of the Sapindaceae family, to which Blighia sapida belongs, have been utilized for the treatment of blood, heart, urinary and mental disorders. The study investigated the protective effects of ethanol extract (EE) from Blighia sapida stem-bark on Clarias gariepinus sub-adults using their behavioral, biochemical, hematological parameters, as well as in silico evaluation.

Methods

The study randomly divided 189 Clarias gariepinus into nine groups (G) in triplicates with seven fish to make 27 treatment tanks. The groups were G1: control, G2: 100 mL kerosene, G3: 200 mL kerosene, G4: 100 mL kerosene + 50 mg/kg bwt.EE, G5: 100 mL kerosene + 100 mg/kg bwt.EE, G6: 100 mL kerosene + 150 mg/kg bwt.EE, G7: 200 mL kerosene + 50 mg/kg bwt.EE, G8: 200 mL kerosene + 100 mg/kg bwt.EE, G9: 200 mL kerosene + 150 mg/kg bwt.EE. The experimental setup was repeated every other day for 28 days in a 30 L plastic aquaria. Behavioral parameters such as active swimming, aggression, jumping, air gulping, slothful movement, and feed response were recorded before and during the treatment using the focal sampling technique. Gas chromatography- mass spectrometry (GC-MS) of the ethanol extract was analyzed. In silico molecular docking studies were used to analyze the binding interactions with CYP450 2E1.

Results

The observed behavioral alterations were normalized in a dose-dependent manner at the end of the experiment, the extract mitigated kerosene-induced biochemical disruptions, reducing ALT, AST, and creatinine levels. The levels of disruptions in hematology at 100- and 200-mL kerosene exposure was restored close to control values. However, the EE displayed amelioration on the effects of kerosene. In silico analysis revealed high negative binding interactions between compounds identified in the extract and CYP 450 2E1. Better docking scores further validate the protective potential of the top three compounds [9-Octadecenoic acid (-7.9 kCal/mol.), (E)-, Hexadecanamide (-7.5 kCal/mol.), 9-Octadecenamide, (Z)- (-7.8 kCal/mol.)] identified in B. sapida ethanol extract against the molecular protein target compared with ademethionine, the standard drug (-6.6 kCal/mol.). The study concluded that Blighia sapida extract shows promises as a sustainable intervention against kerosene-induced toxicity in aquatic organisms. Also, the top three compounds fingerprinted from the extract of this plant, unlike the standard compound, exhibited adequate drug-like properties.
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