title: International Commission for Protection Against Environmental Mutagens and Carcinogens. The importance of the hydrophobic interaction in the mutagenicity of organic compounds.
abstract: The derivation of new QSAR and the review of published QSAR for the mutagenicity of a variety of chemicals acting on a variety of bacterial systems uncovers two classes of equations. 12 examples include a term for hydrophobicity and of these 12, 11 require activation either by S9 or cytosolic enzymes for the reduction of nitro compounds. There are 4 examples of direct-acting mutagens which do not require activation. Of these 4, 3 do not contain a term for hydrophobicity. The odd example is that of the sulfonate esters which do not require activation, but contain a term in log P. The hydrophobicity factor is not correlated with the type of bacteria used for the test.
authors.affiliation: Department of Chemistry, Pomona College, Claremont, CA 91711.
authors.forename: A K
authors.initials: AK
authors.lastname: Debnath
authors.forename: A J
authors.initials: AJ
authors.lastname: Shusterman
authors.forename: R L
authors.initials: RL
authors.lastname: Lopez de Compadre
authors.forename: C
authors.initials: C
authors.lastname: Hansch
mesh_terms: D000588:Amines / Q000737:chemistry / Q000633:toxicity; D000818:Animals; D001419:Bacteria / Q000187:drug effects; D001562:Benzimidazoles / Q000737:chemistry / Q000633:toxicity; D001711:Biotransformation; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D004583:Electrons; D004852:Epoxy Compounds / Q000737:chemistry / Q000633:toxicity; D006801:Humans; D008433:Mathematics; D008698:Mesylates / Q000737:chemistry / Q000633:toxicity; D008862:Microsomes, Liver / Q000201:enzymology; D015394:Molecular Structure; D009152:Mutagenicity Tests; D009153:Mutagens / Q000737:chemistry* / Q000378:metabolism / Q000633:toxicity*; D009574:Nitro Compounds / Q000737:chemistry / Q000633:toxicity*; D009944:Organoplatinum Compounds / Q000737:chemistry / Q000633:toxicity; D011789:Quantum Theory; D015363:Quinolones / Q000737:chemistry / Q000633:toxicity; D012377:Rodentia; D012486:Salmonella typhimurium / Q000187:drug effects; D013329:Structure-Activity Relationship; D013499:Surface Properties; D014226:Triazenes / Q000737:chemistry / Q000633:toxicity; D014867:Water / Q000737:chemistry
chemical_list: D000588:Amines; D001562:Benzimidazoles; D004852:Epoxy Compounds; D008698:Mesylates; D009153:Mutagens; D009574:Nitro Compounds; D009944:Organoplatinum Compounds; D015363:Quinolones; D014226:Triazenes; D014867:Water