Inhibition of butyrylcholinesterase by organophosphorus compounds: a quantitative structure-activity analysis

Quantitative structure-activity relationships have been formulated for the interactions of a variety of inhibitors with butyrylcholinesterase. The parameters KQ, k2 and ki are found to be strongly dependent on molar refractivity as well as on the inductive effect of the leaving group --SR' in structures of the RO (X) P (O) SR' type. A model for the interaction of organophosphorus compounds is presented which gives a consistent view of the binding step, acylation and overall inhibition.