{"title":"丁基羟基甲苯改善醋酸铅诱导的血管病变:wistar大鼠实验模型和计算分析的机制见解。","authors":"Saviour God’swealth Usin , Favour Ayooluwa Adeyemi , Omotayo Motunrayo Arinola , Grace Ochanya Igomu , Ayodeji Mathias Adegoke","doi":"10.1016/j.ecoenv.2025.119102","DOIUrl":null,"url":null,"abstract":"<div><div>Lead (Pb) exposure remains an important public health problem, especially in developing countries, as it has had very harmful vasculotoxic effects. In the present study, BHT, a phenolic antioxidant, is investigated as a protective agent against PbAc-induced vasculopathy through <em>in vivo</em> and <em>in silico</em> methods. Forty-two male Wistar rats were divided into seven groups and were administered BHT (25 or 50 mg/kg b.wt.), PbAc (50 mg/kg b.wt) and a combination of them for 21 days. PbAc intoxication induced major adverse changes in lipid profile, elevated atherogenic index, oxidative stress, inflammatory markers, dysregulated vascular regulators, such as endothelin-1, and nitric oxide. Remarkably, treatment with BHT mitigated dyslipidaemia, replenished the level of antioxidant enzymes (SOD, CAT, GPx, and GSH), and decreased lipid peroxidation. BHT improved protection against the vascular thickening and degeneration induced by PbAc in the aorta, as observed after histological analysis. More so, <em>in silico</em> network pharmacology identified 242 overlapping gene targets between PbAc toxicity and BHT action. Protein-protein interaction and topological comparison of the genes revealed that the <em>JUN</em>, <em>IL-6</em>, <em>AKT1</em>, <em>STAT3</em> and <em>TNF-α</em> were the central mediators. GO and KEGG enrichment analysis indicated participation in oxidative stress pathways, inflammatory, vascular tone regulation and atherosclerosis-related pathways. Molecular docking studies validated the strong binding affinities of BHT to <em>MAPK8</em>, <em>ITGB1</em>, <em>STAT3</em>, and other hub proteins, suggesting that direct molecular interactions underpin its vasculoprotective effect. Conclusively, BHT reduces PbAc-induced vasculopathy by regulating oxidative stress, inflammatory response and lipid metabolism; a multi-target engagement has been shown by <em>in silico</em> studies.</div></div>","PeriodicalId":303,"journal":{"name":"Ecotoxicology and Environmental Safety","volume":"304 ","pages":"Article 119102"},"PeriodicalIF":6.1000,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Butylated hydroxytoluene ameliorates lead acetate-induced vasculopathy: A mechanistic insight from wistar rat experimental model and computational analysis\",\"authors\":\"Saviour God’swealth Usin , Favour Ayooluwa Adeyemi , Omotayo Motunrayo Arinola , Grace Ochanya Igomu , Ayodeji Mathias Adegoke\",\"doi\":\"10.1016/j.ecoenv.2025.119102\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Lead (Pb) exposure remains an important public health problem, especially in developing countries, as it has had very harmful vasculotoxic effects. In the present study, BHT, a phenolic antioxidant, is investigated as a protective agent against PbAc-induced vasculopathy through <em>in vivo</em> and <em>in silico</em> methods. Forty-two male Wistar rats were divided into seven groups and were administered BHT (25 or 50 mg/kg b.wt.), PbAc (50 mg/kg b.wt) and a combination of them for 21 days. PbAc intoxication induced major adverse changes in lipid profile, elevated atherogenic index, oxidative stress, inflammatory markers, dysregulated vascular regulators, such as endothelin-1, and nitric oxide. Remarkably, treatment with BHT mitigated dyslipidaemia, replenished the level of antioxidant enzymes (SOD, CAT, GPx, and GSH), and decreased lipid peroxidation. BHT improved protection against the vascular thickening and degeneration induced by PbAc in the aorta, as observed after histological analysis. More so, <em>in silico</em> network pharmacology identified 242 overlapping gene targets between PbAc toxicity and BHT action. Protein-protein interaction and topological comparison of the genes revealed that the <em>JUN</em>, <em>IL-6</em>, <em>AKT1</em>, <em>STAT3</em> and <em>TNF-α</em> were the central mediators. GO and KEGG enrichment analysis indicated participation in oxidative stress pathways, inflammatory, vascular tone regulation and atherosclerosis-related pathways. Molecular docking studies validated the strong binding affinities of BHT to <em>MAPK8</em>, <em>ITGB1</em>, <em>STAT3</em>, and other hub proteins, suggesting that direct molecular interactions underpin its vasculoprotective effect. Conclusively, BHT reduces PbAc-induced vasculopathy by regulating oxidative stress, inflammatory response and lipid metabolism; a multi-target engagement has been shown by <em>in silico</em> studies.</div></div>\",\"PeriodicalId\":303,\"journal\":{\"name\":\"Ecotoxicology and Environmental Safety\",\"volume\":\"304 \",\"pages\":\"Article 119102\"},\"PeriodicalIF\":6.1000,\"publicationDate\":\"2025-10-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Ecotoxicology and Environmental Safety\",\"FirstCategoryId\":\"93\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0147651325014472\",\"RegionNum\":2,\"RegionCategory\":\"环境科学与生态学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"ENVIRONMENTAL SCIENCES\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Ecotoxicology and Environmental Safety","FirstCategoryId":"93","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0147651325014472","RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"ENVIRONMENTAL SCIENCES","Score":null,"Total":0}
Butylated hydroxytoluene ameliorates lead acetate-induced vasculopathy: A mechanistic insight from wistar rat experimental model and computational analysis
Lead (Pb) exposure remains an important public health problem, especially in developing countries, as it has had very harmful vasculotoxic effects. In the present study, BHT, a phenolic antioxidant, is investigated as a protective agent against PbAc-induced vasculopathy through in vivo and in silico methods. Forty-two male Wistar rats were divided into seven groups and were administered BHT (25 or 50 mg/kg b.wt.), PbAc (50 mg/kg b.wt) and a combination of them for 21 days. PbAc intoxication induced major adverse changes in lipid profile, elevated atherogenic index, oxidative stress, inflammatory markers, dysregulated vascular regulators, such as endothelin-1, and nitric oxide. Remarkably, treatment with BHT mitigated dyslipidaemia, replenished the level of antioxidant enzymes (SOD, CAT, GPx, and GSH), and decreased lipid peroxidation. BHT improved protection against the vascular thickening and degeneration induced by PbAc in the aorta, as observed after histological analysis. More so, in silico network pharmacology identified 242 overlapping gene targets between PbAc toxicity and BHT action. Protein-protein interaction and topological comparison of the genes revealed that the JUN, IL-6, AKT1, STAT3 and TNF-α were the central mediators. GO and KEGG enrichment analysis indicated participation in oxidative stress pathways, inflammatory, vascular tone regulation and atherosclerosis-related pathways. Molecular docking studies validated the strong binding affinities of BHT to MAPK8, ITGB1, STAT3, and other hub proteins, suggesting that direct molecular interactions underpin its vasculoprotective effect. Conclusively, BHT reduces PbAc-induced vasculopathy by regulating oxidative stress, inflammatory response and lipid metabolism; a multi-target engagement has been shown by in silico studies.
期刊介绍:
Ecotoxicology and Environmental Safety is a multi-disciplinary journal that focuses on understanding the exposure and effects of environmental contamination on organisms including human health. The scope of the journal covers three main themes. The topics within these themes, indicated below, include (but are not limited to) the following: Ecotoxicology、Environmental Chemistry、Environmental Safety etc.