Modeling of a near-attack conformation of oxime in phosphorylated acetylcholinesterase via a reactivation product, a phosphorylated oxime

Applications of the Near Attack Conformation (NAC) approach in the search for Acetylcholinesterase reactivators

(2023) Tanos Celmar Costa França et al.   CHEMICO-BIOLOGICAL INTERACTIONS

Assessment of four organophosphorus pesticides as inhibitors of human acetylcholinesterase and butyrylcholinesterase

(2021) Tena Čadež et al.   Scientific Reports

Targeting organophosphorus compounds poisoning by novel quinuclidine-3 oximes: development of butyrylcholinesterase-based bioscavengers

(2020) Antonio Zandona et al.   ARCHIVES OF TOXICOLOGY

Enantioseparation, in vitro testing, and structural characterization of triple-binding reactivators of organophosphate-inhibited cholinesterases

(2020) Nikola Maraković et al.   BIOCHEMICAL JOURNAL

Synthesis and in vitro evaluation of novel non-oximes for the reactivation of nerve agent inhibited human acetylcholinesterase

(2020) Martijn C. de Koning et al.   CHEMICO-BIOLOGICAL INTERACTIONS

Assessment of scoring functions and in silico parameters for AChE-ligand interactions as a tool for predicting inhibition potency

(2019) Goran Šinko   CHEMICO-BIOLOGICAL INTERACTIONS

Counteracting tabun inhibition by reactivation by pyridinium aldoximes that interact with active center gorge mutants of acetylcholinesterase

(2019) Zrinka Kovarik et al.   TOXICOLOGY AND APPLIED PHARMACOLOGY

Evaluation of high-affinity phenyltetrahydroisoquinoline aldoximes, linked through anti-triazoles, as reactivators of phosphylated cholinesterases

(2019) Nikolina Maček Hrvat et al.   TOXICOLOGY LETTERS

Potent 3-Hydroxy-2-Pyridine Aldoxime Reactivators of Organophosphate-Inhibited Cholinesterases with Predicted Blood-Brain Barrier Penetration

(2018) Tamara Zorbaz et al.   CHEMISTRY-A EUROPEAN JOURNAL

Oxime-assisted reactivation of tabun-inhibited acetylcholinesterase analysed by active site mutations

(2018) Maja Katalinić et al.   TOXICOLOGY

Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6

(2018) Stephanie M. Bester et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Reversal of tabun toxicity, enabled by a triazole annulated oxime library-reactivators of acetylcholinesterase

(2018) Zrinka Kovarik et al.   CHEMISTRY-A EUROPEAN JOURNAL

AMBER and CHARMM Force Fields Inconsistently Portray the Microscopic Details of Phosphorylation

(2018) Jiří Vymětal et al.   Journal of Chemical Theory and Computation

Pyridinium Oximes with Ortho-Positioned Chlorine Moiety Exhibit Improved Physicochemical Properties and Efficient Reactivation of Human Acetylcholinesterase Inhibited by Several Nerve Agents

(2018) Tamara Zorbaz et al.   JOURNAL OF MEDICINAL CHEMISTRY

Tungstate as a Transition State Analog for Catalysis by Alkaline Phosphatase

(2016) Ariana Peck et al.   JOURNAL OF MOLECULAR BIOLOGY

Structure of a prereaction complex between the nerve agent sarin, its biological target acetylcholinesterase, and the antidote HI-6

(2016) Anders Allgardsson et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structures of paraoxon-inhibited human acetylcholinesterase reveal perturbations of the acyl loop and the dimer interface

(2016) Matthew C. Franklin et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

A comprehensive evaluation of novel oximes in creation of butyrylcholinesterase-based nerve agent bioscavengers

(2016) Maja Katalinić et al.   TOXICOLOGY AND APPLIED PHARMACOLOGY

Discovery of New Classes of Compounds that Reactivate Acetylcholinesterase Inhibited by Organophosphates

(2015) Francine S. Katz et al.   CHEMBIOCHEM

Catalytic-site conformational equilibrium in nerve-agent adducts of acetylcholinesterase: Possible implications for the HI-6 antidote substrate specificity

(2013) Elisabet Artursson et al.   BIOCHEMICAL PHARMACOLOGY

Refinement of Structural Leads for Centrally Acting Oxime Reactivators of Phosphylated Cholinesterases

(2012) Zoran Radić et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Interactions of pyridinium oximes with acetylcholinesterase

(2010) Goran Šinko et al.   CHEMICO-BIOLOGICAL INTERACTIONS

Insights into the Reaction of Protein-tyrosine Phosphatase 1B

(2010) Tiago A. S. Brandão et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Evaluation of Oxime K203 as Antidote in Tabun Poisoning

(2009) Zrinka Kovarik et al.   Arhiv za Higijenu Rada i Toksikologiju-Archives of Industrial Hygiene and Toxicology

Crystal structures of oxime-bound fenamiphos-acetylcholinesterases: Reactivation involving flipping of the His447 ring to form a reactive Glu334–His447–oxime triad

(2009) Andreas Hörnberg et al.   BIOCHEMICAL PHARMACOLOGY

Structure of HI-6•Sarin-Acetylcholinesterase Determined by X-Ray Crystallography and Molecular Dynamics Simulation: Reactivator Mechanism and Design

(2009) Fredrik Ekström et al.   PLoS One

Reactivation of tabun-hAChE investigated by structurally analogous oximes and mutagenesis

(2009) Elisabet Artursson et al.   TOXICOLOGY

Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation

(2008) Eugénie Carletti et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY