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Quantitative structure-toxicity relationships of halobenzoquinone isomers on DNA reactivity and genotoxicity.
Tu, Nannan; Liu, Huan; Li, Wanling; Yao, Shuo; Liu, Juanli; Guo, Zhaoying; Yu, Rui; Du, Haiying; Li, Jinhua.
Afiliação
  • Tu N; Department of Health Toxicology, School of Public Health, Jilin University, Changchun, Jilin, 130021, China.
  • Liu H; Department of Health Toxicology, School of Public Health, Jilin University, Changchun, Jilin, 130021, China.
  • Li W; Department of Health Toxicology, School of Public Health, Jilin University, Changchun, Jilin, 130021, China.
  • Yao S; Department of Health Toxicology, School of Public Health, Jilin University, Changchun, Jilin, 130021, China.
  • Liu J; Department of Health Toxicology, School of Public Health, Jilin University, Changchun, Jilin, 130021, China.
  • Guo Z; Department of Health Toxicology, School of Public Health, Jilin University, Changchun, Jilin, 130021, China.
  • Yu R; Department of Health Toxicology, School of Public Health, Jilin University, Changchun, Jilin, 130021, China.
  • Du H; Department of Health Toxicology, School of Public Health, Jilin University, Changchun, Jilin, 130021, China.
  • Li J; Department of Health Toxicology, School of Public Health, Jilin University, Changchun, Jilin, 130021, China. Electronic address: jinhua1@jlu.edu.cn.
Chemosphere ; 309(Pt 1): 136763, 2022 Dec.
Article em En | MEDLINE | ID: mdl-36209857
ABSTRACT
Halobenzoquinones (HBQs) are an emerging class of drinking water disinfection byproducts that have been predicted as bladder carcinogens. However, data on the genotoxicity of HBQs are still scarce. This study performed a quantitative structure-toxicity relationship (QSTR) analysis of HBQ isomers on DNA reactivity and genotoxicity. The interaction of HBQs with calf thymus DNA (ct-DNA) was studied using multi-spectroscopic and molecular docking techniques. UV-Vis absorption spectra observed a significant hyperchromic effect with the increase of HBQ concentration. The fluorescence intensity of both probe-ct-DNA decreased with the increasing concentration of HBQs, indicating that the interaction mode between each HBQs and DNA was quite complicated, and there were both minor groove binding and intercalation binding. Molecular docking showed that HBQs interacted with DNA predominantly via hydrogen bond at guanine-rich areas in the minor groove of DNA. The genotoxicity of HBQs on human hepatocytes (L-02) was evaluated by micronucleus test, and the results showed that HBQs could cause significant chromosomal damage. The rank order of HBQ isomers on DNA reactivity and genotoxicity was 2,5-HBQs > their corresponding 2,6-HBQs. QSTR analysis found that dipole moment is the key structural descriptor influencing both DNA reactivity and genotoxicity of HBQ isomers. This study suggested that HBQs have caused genotoxicity which was influenced by their isomeric effects, warranting a comprehensive understanding of the genotoxic and carcinogenic risks associated with HBQs exposure.
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Água Potável Tipo de estudo: Prognostic_studies Limite: Humans Idioma: En Revista: Chemosphere Ano de publicação: 2022 Tipo de documento: Article País de afiliação: China País de publicação: ENGLAND / ESCOCIA / GB / GREAT BRITAIN / INGLATERRA / REINO UNIDO / SCOTLAND / UK / UNITED KINGDOM

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Água Potável Tipo de estudo: Prognostic_studies Limite: Humans Idioma: En Revista: Chemosphere Ano de publicação: 2022 Tipo de documento: Article País de afiliação: China País de publicação: ENGLAND / ESCOCIA / GB / GREAT BRITAIN / INGLATERRA / REINO UNIDO / SCOTLAND / UK / UNITED KINGDOM