QSAR studies of hydrazone uncouplers of oxidative phosphorylation.
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.
Winkler
D A
DA
CSIRO Division of Chemicals and Polymers, Melbourne, Australia.
Holan
G
G
Smith
D R
DR
Middleton
E J
EJ
Hart
N K
NK
Rihs
K
K
Smith
K W
KW
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*
D006835:Hydrazones; D014475:Uncoupling Agents; D000244:Adenosine Diphosphate