Pseudo-irreversible butyrylcholinesterase inhibitors: Structure–activity relationships, computational and crystallographic study of the N-dialkyl O-arylcarbamate warhead
Anže Meden, Damijan Knez, Xavier Brazzolotto, Fabrice Modeste, Andrej Perdih, Anja Pišlar, Maša Zorman, Maja Zorović, Milica Denic, Stane Pajk, Marko Živin, Florian Nachon, Stanislav Gobec
Topics & Concepts
ButyrylcholinesteraseChemistrySteric effectsCarbamateWarheadCovalent bondMoietyStereochemistryCholinesteraseCombinatorial chemistryAcetylcholinesteraseEnzymeOrganic chemistryAchéInternal medicineAerospace engineeringMedicineEngineeringCholinesterase and Neurodegenerative DiseasesComputational Drug Discovery MethodsPhosphodiesterase function and regulation