{"title":"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","authors":"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","doi":"10.1016/j.prerep.2025.100036","DOIUrl":null,"url":null,"abstract":"<div><h3>Introduction</h3><div>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 <em>Blighia sapida</em> 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 <em>Blighia sapida</em> stem-bark on <em>Clarias gariepinus</em> sub-adults using their behavioral, biochemical, hematological parameters, as well as <em>in silico</em> evaluation.</div></div><div><h3>Methods</h3><div>The study randomly divided 189 <em>Clarias gariepinus</em> 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. <em>In silico</em> molecular docking studies were used to analyze the binding interactions with CYP<sub>450</sub> 2E1.</div></div><div><h3>Results</h3><div>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. <em>In silico</em> 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.), (<em>E</em>)-, Hexadecanamide (-7.5 kCal/mol.), 9-Octadecenamide, (<em>Z</em>)- (-7.8 kCal/mol.)] identified in <em>B. sapida</em> ethanol extract against the molecular protein target compared with ademethionine, the standard drug (-6.6 kCal/mol.). The study concluded that <em>Blighia sapida</em> 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.</div></div>","PeriodicalId":101015,"journal":{"name":"Pharmacological Research - Reports","volume":"3 ","pages":"Article 100036"},"PeriodicalIF":0.0000,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"The protective potential of Blighia sapida on the behavioural and hematobiochemical disruption in kerosene-exposed Clarias gariepinus: In Vivo and In Silico evaluation\",\"authors\":\"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\",\"doi\":\"10.1016/j.prerep.2025.100036\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><h3>Introduction</h3><div>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 <em>Blighia sapida</em> 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 <em>Blighia sapida</em> stem-bark on <em>Clarias gariepinus</em> sub-adults using their behavioral, biochemical, hematological parameters, as well as <em>in silico</em> evaluation.</div></div><div><h3>Methods</h3><div>The study randomly divided 189 <em>Clarias gariepinus</em> 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. <em>In silico</em> molecular docking studies were used to analyze the binding interactions with CYP<sub>450</sub> 2E1.</div></div><div><h3>Results</h3><div>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. <em>In silico</em> 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.), (<em>E</em>)-, Hexadecanamide (-7.5 kCal/mol.), 9-Octadecenamide, (<em>Z</em>)- (-7.8 kCal/mol.)] identified in <em>B. sapida</em> ethanol extract against the molecular protein target compared with ademethionine, the standard drug (-6.6 kCal/mol.). The study concluded that <em>Blighia sapida</em> 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.</div></div>\",\"PeriodicalId\":101015,\"journal\":{\"name\":\"Pharmacological Research - Reports\",\"volume\":\"3 \",\"pages\":\"Article 100036\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2025-03-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Pharmacological Research - Reports\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2950200425000102\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Pharmacological Research - Reports","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2950200425000102","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
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.