题名 | Benzene ring bisphenol A substitutes potently inhibit human, rat, and mouse gonadal 3β-hydroxysteroid dehydrogenases: Structure-activity relationship and in silico docking analysis |
作者 | |
发表日期 | 2023-10-01 |
发表期刊 | Ecotoxicology and environmental safety 影响因子和分区 |
语种 | 英语 |
原始文献类型 | Journal Article |
关键词 | 3β-hydroxysteroid dehydrogenase/Δ(5,4)-isomerase In silico docking Model of action Pregnenolone Steroid hormone |
其他关键词 | ENDOCRINE DISRUPTORS ; DATABASE |
摘要 | Bisphenol A (BPA) is a chemical used in the production of certain plastics and resins. Recent research has found that BPA can inhibit the activity of 3β-hydroxysteroid dehydrogenase/Δ5,4-isomerases (3β-HSDs). Whether benzene ring BPA substitutes can inhibit human, rat, and mouse gonadal 3β-HSDs, the structure-activity relationship and the underlying mechanism remain unclear. In this study, we compared 6 benzene ring BPA substitutes to BPA in the inhibition of human, rat, and mouse gonadal 3β-HSDs and conducted structure-activity relationship and in silico docking analysis. The inhibitory activity (IC50) of human 3β-HSD2 in KGN cells ranged from about 0.02 μM for bisphenol H to 8.75 μM for BPA, that of rat 3β-HSD1 in testicular microsomes ranged from 0.099 μM for bisphenol H to 31.32 μM for BPA, and that of mouse 3β-HSD6 ranged from 0.021 μM for BPH to ineffectiveness for 100 μM BPA. These compounds acted as mixed inhibitors with LogP inversely correlated with IC50 and ΔG positively correlated with IC50 value. Docking analysis showed that these compounds bind to the steroid active site of the 3β-HSD enzymes. In conclusion, some benzene ring BPA substitutes potently inhibit gonadal 3β-HSD in various species, and lipophilicity and binding affinity determine their inhibitory strength |
资助项目 | Department of Health of Zhe- jiang Province [11-CX29] |
出版者 | ACADEMIC PRESS INC ELSEVIER SCIENCE |
ISSN | 0147-6513 |
EISSN | 1090-2414 |
卷号 | 264 |
DOI | 10.1016/j.ecoenv.2023.115461 |
页数 | 11 |
WOS类目 | Environmental Sciences ; Toxicology |
WOS研究方向 | Environmental Sciences & Ecology ; Toxicology |
WOS记录号 | WOS:001077857500001 |
收录类别 | PUBMED ; SCIE ; SCOPUS |
在线发表日期 | 2023-09 |
URL | 查看原文 |
PubMed ID | 37703809 |
SCOPUSEID | 2-s2.0-85171190972 |
通讯作者地址 | [Ge, Ren-shan]Department of Anaesthesiology of the Second Affiliated Hospital and Yuying Children's Hospital of Wenzhou Medical University,Zhejiang,Wenzhou,325027,China |
Scopus学科分类 | Pollution;Public Health, Environmental and Occupational Health;Health, Toxicology and Mutagenesis |
引用统计 | |
文献类型 | 期刊论文 |
条目标识符 | https://kms.wmu.edu.cn/handle/3ETUA0LF/182881 |
专题 | 第二临床医学院、附属第二医院、育英儿童医院 附属第二医院 附属第一医院 第一临床医学院(信息与工程学院)、附属第一医院_妇产科学_生殖医学中心 |
通讯作者 | Ge, Ren-shan |
作者单位 | 1.Department of Anaesthesiology of the Second Affiliated Hospital and Yuying Children's Hospital of Wenzhou Medical University,Zhejiang,Wenzhou,325027,China; 2.Reproductive Medicine Center,the First Affiliated Hospital of Wenzhou Medical University,Wenzhou,China; 3.Key Laboratory of Environment and Male Reproductive Medicine of Wenzhou,Key Laboratory of Structural Malformations in Children of Zhejiang Province,Zhejiang Province,Wenzhou,325000,China |
第一作者单位 | 第二临床医学院,附属第二医院、育英儿童医院; 附属第二医院 |
通讯作者单位 | 第二临床医学院,附属第二医院、育英儿童医院; 附属第二医院 |
第一作者的第一单位 | 第二临床医学院,附属第二医院、育英儿童医院 |
推荐引用方式 GB/T 7714 | Yu, Yang,Ren, Zheyuan,Wang, Hong,et al. Benzene ring bisphenol A substitutes potently inhibit human, rat, and mouse gonadal 3β-hydroxysteroid dehydrogenases: Structure-activity relationship and in silico docking analysis[J]. Ecotoxicology and environmental safety,2023,264. |
APA | Yu, Yang., Ren, Zheyuan., Wang, Hong., Sang, Jianmin., Chen, Ya., ... & Ge, Ren-shan. (2023). Benzene ring bisphenol A substitutes potently inhibit human, rat, and mouse gonadal 3β-hydroxysteroid dehydrogenases: Structure-activity relationship and in silico docking analysis. Ecotoxicology and environmental safety, 264. |
MLA | Yu, Yang,et al."Benzene ring bisphenol A substitutes potently inhibit human, rat, and mouse gonadal 3β-hydroxysteroid dehydrogenases: Structure-activity relationship and in silico docking analysis".Ecotoxicology and environmental safety 264(2023). |
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