科研成果详情

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
ISSN0147-6513
EISSN1090-2414
卷号264
DOI10.1016/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 ID37703809
SCOPUSEID2-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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