[Nonlinear "hydrophobicity-antiesterase activity" model for various types of organophosphorous compounds].
The dependence of antiesteratic activity on the structure of insecticides (RO)2P(O)SCH(COOEt)SP(O)(OR)2 (I) and (RO)2P(O)SCH(COOEt)OP(S)(OR)2 (II) was examined. Nonlinear regression equations (parabolic and bilinear) "hydrophobicity-antiesteratic activity" were derived. Basing on the studies of the relationships between hydrophobicity and individual constants, the detailed mechanisms were proposed for the interaction of type (I) and (II) compounds with the esterase active centers. The mechanisms implicate different kinds of sorbtion for compounds of type I and II. Applicability of bilinear models, similar to that of Kubinyi type, for analyzing the structure-antienzyme activity dependences was demonstrated. Thus, several equations were obtained starting from the literature data on inhibition of esterases with diverse organophosphorus compounds.
D000110:Acetylcholinesterase / Q000097:blood; D000818:Animals; D002091:Butyrylcholinesterase / Q000097:blood; D043182:Carboxylesterase; D002265:Carboxylic Ester Hydrolases / Q000037:antagonists & inhibitors; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D002800:Cholinesterase Inhibitors / Q000494:pharmacology*; D004912:Erythrocytes / Q000201:enzymology; D006736:Horses; D006801:Humans; D007700:Kinetics; D008099:Liver / Q000201:enzymology; D008954:Models, Biological; D009943:Organophosphorus Compounds / Q000494:pharmacology*; D051381:Rats
D002800:Cholinesterase Inhibitors; D009943:Organophosphorus Compounds; D002265:Carboxylic Ester Hydrolases; D043182:Carboxylesterase; D000110:Acetylcholinesterase; D002091:Butyrylcholinesterase
Nelineĭnaia model' "gidrofobnost'-antiésteraznaia aktivnost'" dlia nekotorykh tipov fosfororganicheskikh soedineniĭ.