Synthesis,<i>in vitro</i>screening and molecular docking of isoquinolinium-5-carbaldoximes as acetylcholinesterase and butyrylcholinesterase reactivators
David Maliňák, Rafael Dolezal, Vendula Hepnarová, Miroslava Hozova, Rudolf Andrýs, Petr Bzonek, Veronika Račáková, Jan Korábečný, Lukáš Górecki, Eva Mezeiová, Miroslav Psotka, Daniel Jun, Kamil Kuča, Kamil Musílek
Abstract
results were further rationalized by molecular docking studies showing future directions on designing potent BChE reactivators.
Topics & Concepts
ButyrylcholinesteraseAcetylcholinesteraseChemistrySarinCholinesteraseParaoxonAchéPharmacologyDocking (animal)In vitroPralidoximeStereochemistryEnzymeBiochemistryMedicineNursingCholinesterase and Neurodegenerative DiseasesPesticide Exposure and ToxicityEnvironmental Toxicology and Ecotoxicology