Title : An in silico stereo-electronic comparison of conventional pyridinium oximes and K-oximes for organophosphate (OP) poisoning.

Pub. Date : 2012 Mar

PMID : 22385173






1 Functional Relationships(s)
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1 Analysis of solvation free energy indicates high solute polarization and dispersion energies of the oximes to be particularly critical for the tabun- inhibited mouse AChE, whereas lower values of these properties favor reactivation against other OP agents, such as soman, sarin and cyclosarin. Oximes acetylcholinesterase Mus musculus