高等学校化学学报

高等学校化学学报 ›› 1998, Vol. 19 ›› Issue (12): 1920.

• 论文 • 上一篇    下一篇

鲤鱼组织ATPase活性抑制和构效分析

徐镜波1, 景体淞2   

  1. 1. 东北师范大学环境科学系, 长春, 130024;
    2. 长春科技大学环境与建设工程学院, 长春, 130026
  • 收稿日期:1998-01-25 出版日期:1998-12-24 发布日期:1998-12-24
  • 通讯作者: 徐镜波,女,46岁,副教授.
  • 作者简介:徐镜波,女,46岁,副教授.
  • 基金资助:

    国家自然科学基金(批准号:39570152)资助课题.

Studies on Inhibition of Enzymic Activity on ATPase of Carp Tissues and QSARs

XU Jing-Bo1, Jing Ti-song2   

  1. 1. Department of Environmental Science, Northeast Normal University, Changchun, 130024;
    2. College of Environment and Constnurtion Engineering, Changchun University of Science and Technology, Changchun, 130026
  • Received:1998-01-25 Online:1998-12-24 Published:1998-12-24

PDF (PC)

被引次数

16

摘要： 在离体实验条件下测定了20种硝基芳烃化合物对鲤鱼鳃和肾的ATPase活性的半抑制浓度cI50值.以辛醇-水分配系数1gp、一阶价分子连接性指数1xv、指示变量I、分子分支指数1Ka、取代基常数总和∑σ-和分子最低空轨道能Elumo为参数,依据20种硝基芳烃化合物对鲤鱼鳃和肾的ATPase活性的半抑制浓度-lgcI50值,进行构效分析,建立了20种硝基芳烃化合物的QSAR方程.结果表明,∑σ-、I、Elumo3个参数与硝基芳烃对鲤鱼组织ATPase毒性密切相关,并预测和探讨了毒性作用机制.

关键词: 硝基芳烃化合物, 鲤鱼, ATPase活性, 半抑制浓度, QSARs

Abstract: cI50 values of 20 nitroaromatic compounds to the enzymatic activity of ATPase of carp gill and kidney were measured in vitro. The quantitative structure activity relationship (QSAR) studies were carried out with the -lg cI50 values of 20 nitroaromatic compounds to the enzymatic activity of ATPase of carp gill and kidney using the octanol/water partition coefficients lg P, the first order valence molecular connectivity index 1XⅤ, the indicator variable I, the molecular shape index 1 Ka, the sum of substituent constant ∑σ-, and the energy of the lowest unoccupied orbital ELUMOas variables. The results showed that the ∑σ-, Iand ELUMOwere closely correlated with toxicity of nitroaromatic compounds to ATPase of carp tissues, and yield satisfactory QSARs equation. Some toxicity mechanisms by nitroaromatics are also disscussed in this paper.

Key words: Nitroaromatic compounds, Carp, ATPase activity of gill and kidney, c I50, QSARs

中图分类号: 

TrendMD: