Design, synthesis, <i>in silico</i> studies and <i>in vitro</i> evaluation of isatin-pyridine oximes hybrids as novel acetylcholinesterase reactivators

Organophosphorus poisoning caused by some pesticides and nerve agents is a life-threating condition that must be swiftly addressed to avoid casualties. Despite the availability of medical countermeasures, clinically available compounds lack broad spectrum, are not effective towards all organophosphorus toxins, have poor pharmacokinetics properties allow them crossing blood-brain barrier, hampering cholinesterase reactivation at central nervous system. In this work, we designed synthesised novel isatin derivatives, linked pyridinium 4-oxime moiety an alkyl chain with improved calculated properties, tested their potency against paraoxon- NEMP-inhibited acetylcholinesterase in comparison standard antidote pralidoxime. Our results showed these displayed comparable vitro also pointed silico studies, suggesting they promising tackle poisoning.