title: Study on acute toxicity and structure-activity relationship of zebrafish (Danio rerio) exposed to naphthoquinones.
abstract: In this paper, we evaluated the acute toxicity of five naphthoquinone compounds, expressed as median lethal concentration at 96 h (LC(50)) using zebrafish as a model. The five compounds were classified as harmful or very toxic. The Gaussian method was used to calculate the quantitative-chemical parameters of each compound. Based on the structure-activity relationship analysis, the interaction between the naphthoquinones and the target is likely mediated by 1-carbonyl and the hydrophobic fraction substituted in alpha -position of naphthoquinone via hydrogen bonding and hydrophobic interactions. Our results provide a foundation for evaluating the aquatic ecological risk and the mode of action of naphthoquinones in the environment.
authors.affiliation: School of Environmental and Chemical Engineering, Tianjin Polytechnic University, Tianjin, China. songwenhua9316@sina.com
authors.forename: Wen H
authors.initials: WH
authors.lastname: Song
authors.forename: Feng
authors.initials: F
authors.lastname: Ding
authors.forename: Jing
authors.initials: J
authors.lastname: Guo
authors.forename: Li Y
authors.initials: LY
authors.lastname: Li
authors.forename: Jin H
authors.initials: JH
authors.lastname: Zhang
authors.forename: Jie
authors.initials: J
authors.lastname: Lian
authors.forename: Wei X
authors.initials: WX
authors.lastname: Hu
authors.forename: Min L
authors.initials: ML
authors.lastname: Gao
mesh_terms: D000818:Animals; D023421:Models, Animal; D015394:Molecular Structure; D009285:Naphthoquinones / Q000737:chemistry* / Q000633:toxicity*; D013329:Structure-Activity Relationship; D014874:Water Pollutants, Chemical / Q000737:chemistry* / Q000633:toxicity*; D015027:Zebrafish
chemical_list: D009285:Naphthoquinones; D014874:Water Pollutants, Chemical