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<p>Acetylcholinesterase (AChE) reactivators are essential antidotes for treating intoxication caused by nerve agents. Among the available candidates, the oxime K203 has recently attracted significant attention due to its strong reactivation efficacy demonstrated in both in vitro and in vivo studies. In this work, we investigated three structurally related oxime reactivators that differ from K203 only in the nature of the linker connecting their two quaternary nitrogen atoms. Although this linker is often regarded as a passive structural component, our results show that its composition plays a meaningful role in modulating reactivation performance. The combined in vitro findings and molecular modeling analyses consistently highlight the linker as a key contributor to the overall reactivation efficacy of these compounds.</p>

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Importance of the shape of the linker between two quaternary pyridinium rings on reactivation process in oximes: in vitro and in silico study

  • 期刊论文

  • 发表日期：

    2026年6月24日

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  • Kamil Kuca,
  • Joyce Sobreiro Francisco Diz,
  • Tanos Celmar Costa França,
  • Eugenie Nepovimova,
  • Rafael Dolezal

摘要

Acetylcholinesterase (AChE) reactivators are essential antidotes for treating intoxication caused by nerve agents. Among the available candidates, the oxime K203 has recently attracted significant attention due to its strong reactivation efficacy demonstrated in both in vitro and in vivo studies. In this work, we investigated three structurally related oxime reactivators that differ from K203 only in the nature of the linker connecting their two quaternary nitrogen atoms. Although this linker is often regarded as a passive structural component, our results show that its composition plays a meaningful role in modulating reactivation performance. The combined in vitro findings and molecular modeling analyses consistently highlight the linker as a key contributor to the overall reactivation efficacy of these compounds.