Atomistic Origins of Resurrection of Aged Acetylcholinesterase by quinone methide precursors
Leonardo V. F. Ferreira,
Taináh M. R. Santos,
Camila A. Tavares
et al.
Abstract:Nerve agents are organophosphates (OP) that act as potent inhibitors of acetylcholinesterase (AChE), the enzyme responsible for the hydrolysis of acetylcholine. After inhibition, a dealkylation reaction of the phosphorylated serine, known as aging of AChE, can occur. When aged, reactivators of OP-inhibited AChE are no longer effective. Therefore, the realkylation of aged AChE may offer a pathway to reverse AChE aging. In this study, molecular modeling was conducted to propose new ligands as realkylators of age… Show more
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