喹啉在鼠伤寒沙门氏菌TA100中的诱变性。基于疏水性和分子轨道决定因素的定量构效关系研究。
Mutagenicity of quinolines in Salmonella typhimurium TA100. A QSAR study based on hydrophobicity and molecular orbital determinants.
作者信息
Debnath A K, de Compadre R L, Hansch C
机构信息
Department of Chemistry, Pomona College, Claremont, CA 91711.
出版信息
Mutat Res. 1992 Jul;280(1):55-65. doi: 10.1016/0165-1218(92)90018-u.
The mutagenicity of 33 quinolines in the Salmonella test using TA98 and TA100 cells has been reported. Significant activity was found only with TA100 cells. Quantitative structure-activity relationships (QSAR) could be formulated using molecular orbital parameters or Hammett constants and hydrophobic parameters for those compounds with substituents in the 6, 7 and 8 positions. The QSAR points to the 2-position on the quinoline ring as being the site for activation by S9 oxidation.
已有报告称在使用TA98和TA100细胞的沙门氏菌试验中对33种喹啉的致突变性进行了研究。仅在TA100细胞中发现了显著活性。对于那些在6、7和8位带有取代基的化合物，可以使用分子轨道参数或哈米特常数以及疏水参数来建立定量构效关系（QSAR）。QSAR表明喹啉环上的2位是通过S9氧化进行活化的位点。
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