Mutagenicity of quinolines in Salmonella typhimurium TA100. A QSAR study based on hydrophobicity and molecular orbital determinants.
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.
Debnath
A K
AK
Department of Chemistry, Pomona College, Claremont, CA 91711.
de Compadre
R L
RL
Hansch
C
C
D001711:Biotransformation; D015394:Molecular Structure; D009153:Mutagens / Q000493:pharmacokinetics / Q000633:toxicity*; D015363:Quinolones / Q000493:pharmacokinetics / Q000633:toxicity*; D012486:Salmonella typhimurium / Q000235:genetics; D013329:Structure-Activity Relationship
D009153:Mutagens; D015363:Quinolones