title: QSAR studies of hydrazone uncouplers of oxidative phosphorylation.
abstract: Semiempirical molecular orbital calculations have been performed on a series of hydrazone uncouplers of mitochondrial oxidative phosphorylation which show insecticidal activity. Regression analysis yielded significant correlations between uncoupling activity, insecticidal potency and such physicochemical or theoretically-derived parameters as lipophilicity, pKa and atom charges.
authors.affiliation: CSIRO Division of Chemicals and Polymers, Melbourne, Australia.
authors.forename: D A
authors.initials: DA
authors.lastname: Winkler
authors.forename: G
authors.initials: G
authors.lastname: Holan
authors.forename: D R
authors.initials: DR
authors.lastname: Smith
authors.forename: E J
authors.initials: EJ
authors.lastname: Middleton
authors.forename: N K
authors.initials: NK
authors.lastname: Hart
authors.forename: K
authors.initials: K
authors.lastname: Rihs
authors.forename: K W
authors.initials: KW
authors.lastname: Smith
mesh_terms: D000244:Adenosine Diphosphate / Q000378:metabolism; D000818:Animals; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D006835:Hydrazones / Q000494:pharmacology*; D066298:In Vitro Techniques; D007313:Insecta; D008931:Mitochondria, Muscle / Q000187:drug effects / Q000378:metabolism; D008968:Molecular Conformation; D010085:Oxidative Phosphorylation / Q000187:drug effects*; D051381:Rats; D012044:Regression Analysis; D013329:Structure-Activity Relationship; D014475:Uncoupling Agents / Q000494:pharmacology*
chemical_list: D006835:Hydrazones; D014475:Uncoupling Agents; D000244:Adenosine Diphosphate