APPLICATION OF THE CHARGE-TRANSFER CONSTANT FOR CORRELATION OF ACETYLCHOLINESTERASE AFFINITY RECIPROCALS VS PHYSICOCHEMICAL PROPERTIES OF AROMATIC INHIBITORS

  • 1 January 1979
    • journal article
    • research article
    • Vol. 26  (1) , 171-186
Abstract
Some properties of the charge-transfer constant (CT) are described. The constant in association with the Hansch coefficient (.pi., hydrophobic coefficient) for 32 aromatics was applied for the correlation with reciprocals of their acetylcholinesterase affinities (KD). The investigated aromatics constituted p- and m-substituted phenyl methylcarbamates, carbaryl (1-naphthyl methylcarbamate), p-substituted phenylmethyl methylcarbamates, and various aromatics without the carbamyl group. The dependencies found for the following relations.sbd.KD vs. (CT + .SIGMA..DELTA. CT), where CT is the charge-transfer constant for a whole aromatic system and .DELTA. CT refers to effects of substituents upon it; KD vs. .SIGMA. .pi.; KD vs. (CT + .SIGMA..DELTA. CT) + .SIGMA..pi.; and KD vs. [(CT + .SIGMA..DELTA. CT), .SIGMA..pi.].sbd.were characterized by the correlation coefficients 0.72, 0.82, 0.92, and 0.93, respectively.

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