Computational prediction of 7-ethoxyresorufin-O-diethylase (EROD) and luciferase (luc) inducing potency for 75 congeners of chloronaphthalene

被引：20

作者：

Falandysz, J ^{[1
]}

Puzyn, T ^{[1
]}

机构：

[1] Univ Gdansk, Dept Environm Chem & Ecotoxicol, PL-80952 Gdansk, Poland

来源：

JOURNAL OF ENVIRONMENTAL SCIENCE AND HEALTH PART A-TOXIC/HAZARDOUS SUBSTANCES & ENVIRONMENTAL ENGINEERING | 2004年 / 39卷 / 06期

关键词：

chloronaphtalenes; polychlorinated naphtalenes; PCNs; 7-ethoxyresorufin-O-deethylase; EROD; luciferase bioassay;

D O I：

10.1081/ESE-120037850

中图分类号：

X [环境科学、安全科学];

学科分类号：

08 ; 0830 ;

摘要：

Based on available toxicological data and matrix of structural descriptors 7-ethoxyresorufin-O-diethylase (EROD) and luciferase (luc) inducing potency for 75 congeners of chloronaphthalene was predicted using quantitative structure-activity relationships (QSAR) strategy. The most active congeners in EROD and luciferase bioassays were CN congeners nos. 75 and 67. Some empirical rules describing toxic PCNs were formulated.

引用

页码：1505 / 1523

页数：19

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