Pirselová K, Baláz S, Schultz T W
Department of Biochemical Technology, Slovak Technical University, Bratislava, Slovakia.
Arch Environ Contam Toxicol. 1996 Feb;30(2):170-7. doi: 10.1007/BF00215795.
The previously described pseudo-equilibrium model for kinetics of distribution of extraneous chemicals in biological systems has been used for the development of the QSAR equation expressing toxicity of phenols against Tetrahymena pyriformis as a non-linear function of their hydrophobicity and acidity. The model assumes binding of all the tested compounds to a single class of the receptors (i.e., it does not discriminate between possible narcotic and respiratory uncoupling modes of action of phenols) with the association constant related to the electronic structure of the molecules rather than to their hydrophobicity. Non-linear regression analysis revealed satisfying agreement between the model and published biological data measured after a single dose.
先前描述的用于生物系统中外源化学物质分布动力学的伪平衡模型，已被用于开发QSAR方程，该方程将酚类对梨形四膜虫的毒性表示为其疏水性和酸度的非线性函数。该模型假定所有测试化合物与单一类别的受体结合（即，它不区分酚类可能的麻醉和呼吸解偶联作用模式），其缔合常数与分子的电子结构而非疏水性相关。非线性回归分析表明，该模型与单次给药后测得的已发表生物学数据之间具有令人满意的一致性。
