List of works - Sofya V. Lushchekina

1-(3-<i>Tert</i>-Butylphenyl)-2,2,2-Trifluoroethanone as a Potent Transition-State Analogue Slow-Binding Inhibitor of Human Acetylcholinesterase: Kinetic, MD and QM/MM Studies

scientific article published on 27 November 2020

3D structure of the natural tetrameric form of human butyrylcholinesterase as revealed by cryoEM, SAXS and MD

scientific article published on 29 October 2018

6-Methyluracil Derivatives as Bifunctional Acetylcholinesterase Inhibitors for the Treatment of Alzheimer's Disease.

scientific article published on 28 September 2015

6-Methyluracil derivatives as acetylcholinesterase inhibitors for treatment of Alzheimer's disease.

scientific article published in November 2015

6-Methyluracil derivatives as peripheral site ligand-hydroxamic acid conjugates: Reactivation for paraoxon-inhibited acetylcholinesterase

scientific article published on 17 October 2019

9-Substituted acridine derivatives as acetylcholinesterase and butyrylcholinesterase inhibitors possessing antioxidant activity for Alzheimer's disease treatment.

scientific article published on 20 September 2017

A new sensitive spectrofluorimetric method for measurement of activity and kinetic study of cholinesterases

scientific article published on 10 September 2019

Alkyl 2-arylhydrazinylidene-3-oxo-3-polyfluoroalkylpropionates as new effective and selective inhibitors of carboxylesterase

scientific article published on 01 January 2015

Arachidonoylcholine and Other Unsaturated Long-Chain Acylcholines Are Endogenous Modulators of the Acetylcholine Signaling System

scientific article published on 12 February 2020

Bi-functional sterically hindered phenol lipid-based delivery systems as potential multi-target agents against Alzheimer's disease via an intranasal route

scientific article published on 23 June 2020

C-547, a 6-methyluracil derivative with long-lasting binding and rebinding on acetylcholinesterase: Pharmacokinetic and pharmacodynamic studies

scientific article published on 22 December 2017

Catalytic bioscavengers against organophosphorus agents: mechanistic issues of self-reactivating cholinesterases

scholarly article by Sofya V. Lushchekina et al published November 2018 in Toxicology

Characterization of a complete cycle of acetylcholinesterase catalysis by ab initio QM/MM modeling

scientific article

Characterization of a novel BCHE "silent" allele: point mutation (p.Val204Asp) causes loss of activity and prolonged apnea with suxamethonium.

scientific article

Characterization of a novel butyrylcholinesterase point mutation (p.Ala34Val), "silent" with mivacurium

scientific article

Characterization of butyrylcholinesterase in bovine serum

scientific article published on 8 February 2017

Computation of entropy contribution to protein-ligand binding free energy.

scientific article published in July 2007

Computation of hydration free energies of organic solutes with an implicit water model

scientific article published in April 2006

Computer-designed active human butyrylcholinesterase double mutant with a new catalytic triad

scientific article published on 19 April 2019

Conjugates of Tacrine and Its Cyclic Homologues with p-Toluenesulfonamide as Novel Acetylcholinesterase and Butyrylcholinesterase Inhibitors

scientific article published on 01 November 2018

Conjugates of methylene blue with γ-carboline derivatives as new multifunctional agents for the treatment of neurodegenerative diseases

scientific article published on 19 March 2019

Conjugates of tacrine and 1,2,4-thiadiazole derivatives as new potential multifunctional agents for Alzheimer's disease treatment: Synthesis, quantum-chemical characterization, molecular docking, and biological evaluation

scientific article published on 28 October 2019

Conjugates of γ-Carbolines and Phenothiazine as new selective inhibitors of butyrylcholinesterase and blockers of NMDA receptors for Alzheimer Disease

scientific article

Correlation between the substrate structure and the rate of acetylcholinesterase hydrolysis modeled with the combined quantum mechanical/molecular mechanical studies.

scientific article published on 14 April 2010

Corrigendum to "Conjugates of tacrine and 1,2,4-thiadiazole derivatives as new potential multifunctional agents for Alzheimer's disease treatment: Synthesis, quantum-chemical characterization, molecular docking, and biological evaluation". [Bioorg.

scientific article published on 31 January 2020

Effects of viscosity and osmotic stress on the reaction of human butyrylcholinesterase with cresyl saligenin phosphate, a toxicant related to aerotoxic syndrome: kinetic and molecular dynamics studies

scientific article

Emergence of catalytic bioscavengers against organophosphorus agents.

scientific article published on 17 February 2016

Esterase profiles of organophosphorus compounds in vitro predict their behavior in vivo

scientific article published on 3 May 2016

Human butyrylcholinesterase polymorphism: Molecular modeling

scientific article published in November 2015

Impact of Sucrose as Osmolyte on Molecular Dynamics of Mouse Acetylcholinesterase

scientific article published on 12 December 2020

Interactions outside the proteinase-binding loop contribute significantly to the inhibition of activated coagulation factor XII by its canonical inhibitor from corn.

scientific article

Kinetics and mechanism of inhibition of serine esterases by fluorinated carbethoxy 1-aminophosphonates.

scientific article published in July 2013

Modeling the Complete Catalytic Cycle of Aspartoacylase.

scientific article published on 19 April 2016

Molecular modeling evidence for His438 flip in the mechanism of butyrylcholinesterase hysteretic behavior.

scientific article

Molecular modeling of mechanism of action of anti-myasthenia gravis slow-binding inhibitor of acetylcholinesterase.

scientific article published on November 2015

New Hybrids of 4-Amino-2,3-polymethylene-quinoline and p-Tolylsulfonamide as Dual Inhibitors of Acetyl- and Butyrylcholinesterase and Potential Multifunctional Agents for Alzheimer's Disease Treatment

scientific article published on 27 August 2020

New Infestin-4 Mutants with Increased Selectivity against Factor XIIa

scientific article published on 15 December 2015

New Multifunctional Agents Based on Conjugates of 4-Amino-2,3-polymethylenequinoline and Butylated Hydroxytoluene for Alzheimer's Disease Treatment

scientific article published on 12 December 2020

New evidence for dual binding site inhibitors of acetylcholinesterase as improved drugs for treatment of Alzheimer's disease

scientific article published on 25 May 2019

Novel Acetylcholinesterase Inhibitors Based on Uracil Moiety for Possible Treatment of Alzheimer Disease

scientific article published on 12 September 2020

Novel conjugates of aminoadamantanes with carbazole derivatives as potential multitarget agents for AD treatment.

scientific article published on 30 March 2017

On quantum mechanical – molecular mechanical (QM/MM) approaches to model hydrolysis of acetylcholine by acetylcholinesterase

scientific article published on 13 September 2012

Optimization of Cholinesterase-Based Catalytic Bioscavengers Against Organophosphorus Agents.

scientific article published on 13 March 2018

Overview of novel multifunctional agents based on conjugates of γ-carbolines, carbazoles, tetrahydrocarbazoles, phenothiazines, and aminoadamantanes for treatment of Alzheimer's disease

scientific article published on 14 May 2019

Research on cholinesterases in the Soviet Union and Russia: a historical perspective

scientific article published on 26 February 2013

Role of Protein Dimeric Interface in Allosteric Inhibition of N-Acetyl-Aspartate Hydrolysis by Human Aspartoacylase

scientific article

Slow-binding inhibition of acetylcholinesterase by an alkylammonium derivative of 6-methyluracil: mechanism and possible advantages for myasthenia gravis treatment

scientific article

Slow-binding inhibition of cholinesterases, pharmacological and toxicological relevance.

scientific article published on 10 February 2016

Steady-State Kinetics of Enzyme-Catalyzed Hydrolysis of Echothiophate, a P-S Bonded Organophosphorus as Monitored by Spectrofluorimetry

scientific article published on 17 March 2020

Synthesis of 2-arylhydrazinylidene-3-oxo-4,4,4-trifluorobutanoic acids as new selective carboxylesterase inhibitors and radical scavengers

scientific article published on 14 October 2019

Synthesis, molecular docking and biological evaluation of N,N-disubstituted 2-aminothiazolines as a new class of butyrylcholinesterase and carboxylesterase inhibitors

scientific article published on 18 January 2016

Synthesis, molecular docking, and biological activity of 2-vinyl chromones: Toward selective butyrylcholinesterase inhibitors for potential Alzheimer's disease therapeutics

scientific article published on 06 August 2018

Synthesis, molecular docking, and biological activity of polyfluoroalkyl dihydroazolo[5,1-c][1,2,4]triazines as selective carboxylesterase inhibitors.

scientific article published on 20 May 2017

Synthesis, molecular docking, and biological evaluation of 3-oxo-2-tolylhydrazinylidene-4,4,4-trifluorobutanoates bearing higher and natural alcohol moieties as new selective carboxylesterase inhibitors

scientific article published on 03 July 2019

The four-helix bundle in cholinesterase dimers: Structural and energetic determinants of stability

scientific article published on 13 June 2019

This special Issue of Chemico-Biological Interactions comprises 70 manuscripts from lectures and short talks given at the 11th International Meeting on Cholinesterases. Preface

scientific article published in March 2013

Three Faces of N-Acetylaspartate: Activator, Substrate, and Inhibitor of Human Aspartoacylase

scientific article published on 13 September 2017

Time-course of human cholinesterases-catalyzed competing substrate kinetics

scientific article published on 24 June 2019

Understanding the non-catalytic behavior of human butyrylcholinesterase silent variants: Comparison of wild-type enzyme, catalytically active Ala328Cys mutant, and silent Ala328Asp variant.

scientific article published on 7 April 2016

Water structure changes in oxime-mediated reactivation process of phosphorylated human acetylcholinesterase

scientific article published in 2018

Water-soluble betaines and amines based on thiacalix[4]arene scaffold as new cholinesterase inhibitors

scientific article published on 21 November 2019

List of works by Sofya V. Lushchekina

1-(3-<i>Tert</i>-Butylphenyl)-2,2,2-Trifluoroethanone as a Potent Transition-State Analogue Slow-Binding Inhibitor of Human Acetylcholinesterase: Kinetic, MD and QM/MM Studies

3D structure of the natural tetrameric form of human butyrylcholinesterase as revealed by cryoEM, SAXS and MD

6-Methyluracil Derivatives as Bifunctional Acetylcholinesterase Inhibitors for the Treatment of Alzheimer's Disease.

6-Methyluracil derivatives as acetylcholinesterase inhibitors for treatment of Alzheimer's disease.

6-Methyluracil derivatives as peripheral site ligand-hydroxamic acid conjugates: Reactivation for paraoxon-inhibited acetylcholinesterase

9-Substituted acridine derivatives as acetylcholinesterase and butyrylcholinesterase inhibitors possessing antioxidant activity for Alzheimer's disease treatment.

A new sensitive spectrofluorimetric method for measurement of activity and kinetic study of cholinesterases

Alkyl 2-arylhydrazinylidene-3-oxo-3-polyfluoroalkylpropionates as new effective and selective inhibitors of carboxylesterase

Arachidonoylcholine and Other Unsaturated Long-Chain Acylcholines Are Endogenous Modulators of the Acetylcholine Signaling System

Bi-functional sterically hindered phenol lipid-based delivery systems as potential multi-target agents against Alzheimer's disease via an intranasal route

C-547, a 6-methyluracil derivative with long-lasting binding and rebinding on acetylcholinesterase: Pharmacokinetic and pharmacodynamic studies

Catalytic bioscavengers against organophosphorus agents: mechanistic issues of self-reactivating cholinesterases

Characterization of a complete cycle of acetylcholinesterase catalysis by ab initio QM/MM modeling

Characterization of a novel BCHE "silent" allele: point mutation (p.Val204Asp) causes loss of activity and prolonged apnea with suxamethonium.

Characterization of a novel butyrylcholinesterase point mutation (p.Ala34Val), "silent" with mivacurium

Characterization of butyrylcholinesterase in bovine serum

Computation of entropy contribution to protein-ligand binding free energy.

Computation of hydration free energies of organic solutes with an implicit water model

Computer-designed active human butyrylcholinesterase double mutant with a new catalytic triad

Conjugates of Tacrine and Its Cyclic Homologues with p-Toluenesulfonamide as Novel Acetylcholinesterase and Butyrylcholinesterase Inhibitors

Conjugates of methylene blue with γ-carboline derivatives as new multifunctional agents for the treatment of neurodegenerative diseases

Conjugates of tacrine and 1,2,4-thiadiazole derivatives as new potential multifunctional agents for Alzheimer's disease treatment: Synthesis, quantum-chemical characterization, molecular docking, and biological evaluation

Conjugates of γ-Carbolines and Phenothiazine as new selective inhibitors of butyrylcholinesterase and blockers of NMDA receptors for Alzheimer Disease

Correlation between the substrate structure and the rate of acetylcholinesterase hydrolysis modeled with the combined quantum mechanical/molecular mechanical studies.

Corrigendum to "Conjugates of tacrine and 1,2,4-thiadiazole derivatives as new potential multifunctional agents for Alzheimer's disease treatment: Synthesis, quantum-chemical characterization, molecular docking, and biological evaluation". [Bioorg.

Effects of viscosity and osmotic stress on the reaction of human butyrylcholinesterase with cresyl saligenin phosphate, a toxicant related to aerotoxic syndrome: kinetic and molecular dynamics studies

Emergence of catalytic bioscavengers against organophosphorus agents.

Esterase profiles of organophosphorus compounds in vitro predict their behavior in vivo

Human butyrylcholinesterase polymorphism: Molecular modeling

Impact of Sucrose as Osmolyte on Molecular Dynamics of Mouse Acetylcholinesterase

Interactions outside the proteinase-binding loop contribute significantly to the inhibition of activated coagulation factor XII by its canonical inhibitor from corn.

Kinetics and mechanism of inhibition of serine esterases by fluorinated carbethoxy 1-aminophosphonates.

Modeling the Complete Catalytic Cycle of Aspartoacylase.

Molecular modeling evidence for His438 flip in the mechanism of butyrylcholinesterase hysteretic behavior.

Molecular modeling of mechanism of action of anti-myasthenia gravis slow-binding inhibitor of acetylcholinesterase.

New Hybrids of 4-Amino-2,3-polymethylene-quinoline and p-Tolylsulfonamide as Dual Inhibitors of Acetyl- and Butyrylcholinesterase and Potential Multifunctional Agents for Alzheimer's Disease Treatment

New Infestin-4 Mutants with Increased Selectivity against Factor XIIa

New Multifunctional Agents Based on Conjugates of 4-Amino-2,3-polymethylenequinoline and Butylated Hydroxytoluene for Alzheimer's Disease Treatment

New evidence for dual binding site inhibitors of acetylcholinesterase as improved drugs for treatment of Alzheimer's disease

Novel Acetylcholinesterase Inhibitors Based on Uracil Moiety for Possible Treatment of Alzheimer Disease

Novel conjugates of aminoadamantanes with carbazole derivatives as potential multitarget agents for AD treatment.

On quantum mechanical – molecular mechanical (QM/MM) approaches to model hydrolysis of acetylcholine by acetylcholinesterase

Optimization of Cholinesterase-Based Catalytic Bioscavengers Against Organophosphorus Agents.

Overview of novel multifunctional agents based on conjugates of γ-carbolines, carbazoles, tetrahydrocarbazoles, phenothiazines, and aminoadamantanes for treatment of Alzheimer's disease

Research on cholinesterases in the Soviet Union and Russia: a historical perspective

Role of Protein Dimeric Interface in Allosteric Inhibition of N-Acetyl-Aspartate Hydrolysis by Human Aspartoacylase

Slow-binding inhibition of acetylcholinesterase by an alkylammonium derivative of 6-methyluracil: mechanism and possible advantages for myasthenia gravis treatment

Slow-binding inhibition of cholinesterases, pharmacological and toxicological relevance.

Steady-State Kinetics of Enzyme-Catalyzed Hydrolysis of Echothiophate, a P-S Bonded Organophosphorus as Monitored by Spectrofluorimetry

Synthesis of 2-arylhydrazinylidene-3-oxo-4,4,4-trifluorobutanoic acids as new selective carboxylesterase inhibitors and radical scavengers

Synthesis, molecular docking and biological evaluation of N,N-disubstituted 2-aminothiazolines as a new class of butyrylcholinesterase and carboxylesterase inhibitors

Synthesis, molecular docking, and biological activity of 2-vinyl chromones: Toward selective butyrylcholinesterase inhibitors for potential Alzheimer's disease therapeutics

Synthesis, molecular docking, and biological activity of polyfluoroalkyl dihydroazolo[5,1-c][1,2,4]triazines as selective carboxylesterase inhibitors.

Synthesis, molecular docking, and biological evaluation of 3-oxo-2-tolylhydrazinylidene-4,4,4-trifluorobutanoates bearing higher and natural alcohol moieties as new selective carboxylesterase inhibitors

The four-helix bundle in cholinesterase dimers: Structural and energetic determinants of stability

This special Issue of Chemico-Biological Interactions comprises 70 manuscripts from lectures and short talks given at the 11th International Meeting on Cholinesterases. Preface

Three Faces of N-Acetylaspartate: Activator, Substrate, and Inhibitor of Human Aspartoacylase

Time-course of human cholinesterases-catalyzed competing substrate kinetics

Understanding the non-catalytic behavior of human butyrylcholinesterase silent variants: Comparison of wild-type enzyme, catalytically active Ala328Cys mutant, and silent Ala328Asp variant.

Water structure changes in oxime-mediated reactivation process of phosphorylated human acetylcholinesterase

Water-soluble betaines and amines based on thiacalix[4]arene scaffold as new cholinesterase inhibitors