In silico studies and in vitro evaluation of isatin-pyridine oximes hybrids as novel reactivators of acetylcholinesterase inhibited by an A-230 surrogate

Recent events involving A-series nerve agents, a once elusive class of chemical warfare agents, have provoked a great concern in the international community. In this paper, continuing our research efforts in Medicinal Chemistry at IDQBRN, a OPCW Designated Laboratory for environmental samples, we explore ANMP, a A-230 surrogate, as an inhibitor, in the search for new treatment options for intoxication caused by these chemicals. We evaluated the potential of five isatin-pyridine oximes hybrids as reactivators using a modified Ellman’s assay. The results suggest that isatin-oxime monocationic hybrids structures with 5 methylene units and its oxa-analog could be promising for the design of new AChE reactivator.