S. Lushchekina

发表

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

Orly Dym, Joel L Sussman, Israel Silman, 2019, Chemico-biological interactions.

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

Vladimir O. Popov, Petr V. Konarev, Sofya V. Lushchekina, 2019, Biochimie.

Bis-γ-carbolines as new potential multitarget agents for Alzheimer’s disease

V. A. Palyulin, R. Richardson, S. Bachurin, 2020 .

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

R. Richardson, S. Bachurin, S. Lushchekina, 2019, Chemico-biological interactions.

Cholinesterase and carboxylesterase inhibitors as pharmacological agents

S. Lushchekina, G. Makhaeva, E. Shchegolkov, 2019, Russian Chemical Bulletin.

Focused design of polypharmacophoric neuroprotective compounds: Conjugates of γ-carbolines with carbazole derivatives and tetrahydrocarbazole

S. Bachurin, S. Lushchekina, E. Shevtsova, 2017 .

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

P. Masson, S. Lushchekina, 2016, Archives of biochemistry and biophysics.

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.

P. Masson, O. Lockridge, L. Schopfer, 2013, The Biochemical journal.

Modeling reactivation of the phosphorylated human butyrylcholinesterase by QM(DFTB)/MM calculations

B. Grigorenko, A. Nemukhin, A. Kulakova, 2015 .

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

R. Richardson, S. Bachurin, S. Lushchekina, 2016, Chemico-biological interactions.

New Infestin-4 Mutants with Increased Selectivity against Factor XIIa

K. Severinov, F. Ataullakhanov, M. Panteleev, 2015, PloS one.

Conjugation of Aminoadamantane and γ-Carboline Pharmacophores Gives Rise to Unexpected Properties of Multifunctional Ligands

R. Richardson, S. Bachurin, S. Lushchekina, 2021, Molecules.

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.

N. A. Elkina, R. Richardson, S. Bachurin, 2019, Bioorganic chemistry.

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

P. Masson, A. Nemukhin, S. Varfolomeev, 2016, Chemico-biological interactions.

Quantum mechanical/molecular mechanical analysis of mechanisms of enzyme action. Human acetylcholinesterase

B. Grigorenko, A. Nemukhin, S. Varfolomeev, 2011 .

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

A. Nemukhin, S. Varfolomeev, S. Lushchekina, 2017, Journal of chemical information and modeling.

Modeling the Complete Catalytic Cycle of Aspartoacylase.

B. Grigorenko, A. Nemukhin, M. Khrenova, 2016, The journal of physical chemistry. B.

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

N. A. Elkina, R. Richardson, S. Bachurin, 2019, Bioorganic & medicinal chemistry letters.

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

R. Richardson, S. Bachurin, O. Chupakhin, 2017, Bioorganic & medicinal chemistry.

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

N. Petrova, P. Masson, T. Pashirova, 2019, Neuropharmacology.

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

S. Lushchekina, I. Zueva, K. Petrov, 2020, Molecules.

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

L. Zakharova, T. Pashirova, A. Burilov, 2020, Nanoscale.

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

P. Masson, A. Gubaidullin, S. Latypov, 2019, European journal of medicinal chemistry.

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

I. Kovyazina, P. Masson, E. Nikolsky, 2018, Neuropharmacology.

Macrocyclic derivatives of 6-methyluracil as ligands of the peripheral anionic site of acetylcholinesterase

P. Masson, E. Nikolsky, S. Lushchekina, 2014 .

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

G. Aliev, S. Bachurin, G. Barreto, 2015, Scientific Reports.

New Multifunctional Agents for Potential Alzheimer’s Disease Treatment Based on Tacrine Conjugates with 2-Arylhydrazinylidene-1,3-Diketones

N. A. Elkina, R. Richardson, V. Saloutin, 2022, Biomolecules.

Conformational Stability and Denaturation Processes of Proteins Investigated by Electrophoresis under Extreme Conditions

P. Masson, S. Lushchekina, 2022, Molecules.

Analysis of Apparent Catalytic Parameters of Multiple Molecular Forms of Human Plasma Butyrylcholinesterase by Activity Gel-Scanning Following Non-denaturing Electrophoresis

P. Masson, S. Lushchekina, 2018 .

Conjugates of Methylene Blue with Cycloalkaneindoles as New Multifunctional Agents for Potential Treatment of Neurodegenerative Disease

R. Richardson, S. Bachurin, S. Lushchekina, 2022, International journal of molecular sciences.

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

V. Tsetlin, Y. Palikova, I. Dyachenko, 2020, Biomolecules.

Interactions Outside the Proteinase-binding Loop Contribute Significantly to the Inhibition of Activated Coagulation Factor XII by Its Canonical Inhibitor from Corn

F. Ataullakhanov, M. Panteleev, O. Sergienko, 2014, The Journal of Biological Chemistry.

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

P. Masson, S. Lushchekina, S. Darvesh, 2020, Biomolecules.

Time course of human cholinesterases-catalyzed competing substrate kinetics.

P. Masson, M. Golicnik, S. Lushchekina, 2019, Chemico-biological interactions.

Role of Acetylcholinesterase in β-Amyloid Aggregation Studied by Accelerated Molecular Dynamics

P. Masson, D. Novichkova, S. Lushchekina, 2016, BioNanoScience.

Synthesis of new efficient and selective carboxylesterase inhibitors based on adamantyl and citronellyl 4,4,4-trifluoro-2-arylhydrazonylidene-3-oxobutanoates

N. A. Elkina, S. Lushchekina, G. Makhaeva, 2021, Russian Chemical Bulletin.

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

R. Richardson, S. Bachurin, S. Lushchekina, 2016, Bioorganic & medicinal chemistry.

Synthesis of new N-(pyridin-3-ylmethyl)-2-aminothiazoline derivatives possessing anticholinesterase and antiradical activity as potential multifunctional agents for the treatment of neurodegenerative diseases

S. Lushchekina, G. Makhaeva, S. V. Lushchekina, 2017, Russian Chemical Bulletin.

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

P. Padnya, I. Stoikov, V. Evtugyn, 2019, Bioorganic chemistry.

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

O. Chupakhin, S. Lushchekina, G. Makhaeva, 2015, Doklady Biochemistry and Biophysics.

Steady-state kinetic analysis of human cholinesterases over wide concentration ranges of competing substrates.

P. Masson, S. Lushchekina, A. Aglyamova, 2021, Biochimica et biophysica acta. Proteins and proteomics.

Catalytic bioscavengers: the second generation of bioscavenger-based medical countermeasures

P. Masson, S. Lushchekina, 2020, Handbook of Toxicology of Chemical Warfare Agents.

Conjugates of Tacrine and Salicylic Acid Derivatives as New Promising Multitarget Agents for Alzheimer’s Disease

R. Richardson, S. Bachurin, V. Saloutin, 2023, International journal of molecular sciences.

Bis-Amiridines as Acetylcholinesterase and Butyrylcholinesterase Inhibitors: N-Functionalization Determines the Multitarget Anti-Alzheimer’s Activity Profile

O. Soukup, R. Richardson, S. Bachurin, 2022, Molecules.

Amiridine-piperazine hybrids as cholinesterase inhibitors and potential multitarget agents for Alzheimer's disease treatment.

O. Soukup, R. Richardson, J. Korábečný, 2021, Bioorganic chemistry.

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

R. Richardson, Y. V. Soldatova, I. I. Faingold, 2020, Molecules.

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

R. Richardson, S. Bachurin, S. Lushchekina, 2020, Molecules.

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.

R. Richardson, S. Bachurin, S. Lushchekina, 2019, Bioorganic chemistry.

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

V. Echeverria, G. Aliev, S. Bachurin, 2017, Scientific Reports.

Novel potent bifunctional carboxylesterase inhibitors based on a polyfluoroalkyl-2-imino-1,3-dione scaffold.

N. A. Elkina, R. Richardson, S. Bachurin, 2021, European journal of medicinal chemistry.

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

P. Masson, E. Chabrière, S. Lushchekina, 2020, Molecules.

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

P. Masson, S. Lushchekina, I. Zueva, 2019, Biochimica et biophysica acta. Proteins and proteomics.

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

R. Richardson, S. Bachurin, V. Saloutin, 2017, Bioorganic & medicinal chemistry.

α-tocopherol, a slow-binding inhibitor of acetylcholinesterase.

P. Masson, S. Lushchekina, I. Zueva, 2021, Chemico-biological interactions.

Slow-binding inhibitors of acetylcholinesterase of medical interest

P. Masson, S. Lushchekina, 2020, Neuropharmacology.

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

P. Masson, E. Nikolsky, S. Lushchekina, 2015, ChemMedChem.

Molecular polymorphism of human enzymes as the basis of individual sensitivity to drugs. Supercomputer-assisted modeling as a tool for analysis of structural changes and enzymatic activity of proteins

P. Masson, O. Lockridge, A. Nemukhin, 2016, Russian Chemical Bulletin.

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

P. Masson, O. Lockridge, L. Schopfer, 2014, Biochemical pharmacology.

Characterization of a Novel BCHE “Silent” Allele: Point Mutation (p.Val204Asp) Causes Loss of Activity and Prolonged Apnea with Suxamethonium

P. Masson, O. Lockridge, L. Schopfer, 2014, PloS one.

Optimization of Cholinesterase-Based Catalytic Bioscavengers Against Organophosphorus Agents

P. Masson, O. Lockridge, L. Schopfer, 2018, Front. Pharmacol..

Human butyrylcholinesterase polymorphism: Molecular modeling.

P. Masson, O. Lockridge, S. Lushchekina, 2015, The International journal of risk & safety in medicine.

Characterization of butyrylcholinesterase in bovine serum.

P. Masson, O. Lockridge, L. Schopfer, 2017, Chemico-biological interactions.

Emergence of catalytic bioscavengers against organophosphorus agents.

P. Masson, S. Lushchekina, 2016, Chemico-biological interactions.

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

P. Masson, E. Nikolsky, E. Krejci, 2016, The Biochemical journal.

Structural basis of diversity and homodimerization specificity of zinc-finger-associated domains in Drosophila

K. Boyko, V. Popov, P. Georgiev, 2021, Nucleic acids research.

Study and modeling of mechanisms of cholinesterasis reactions in order to improve their catalytic properties in the neutralization reactions of organophosphorus compounds

P. Masson, B. Grigorenko, S. Varfolomeev, 2020, ORGANOPHOSPHORUS NEUROTOXINS.

ORGANOPHOSPHORUS NEUROTOXINS

P. Masson, S. Tsybenova, B. Grigorenko, 2020 .

Human cholinesterases

P. Masson, B. Grigorenko, S. Varfolomeev, 2020, ORGANOPHOSPHORUS NEUROTOXINS.

Study and modeling of mechanisms of cholinesterasis reactions in order to improve their catalytic properties in the neutralization reactions of organophosphorous compounds

P. Masson, B. Grigorenko, S. Varfolomeev, 2020 .

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

P. Masson, S. Varfolomeev, S. Lushchekina, 2013, Chemico-biological interactions.

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

G. Aliev, R. Richardson, S. Bachurin, 2019, Scientific Reports.

Impact of Sucrose as Osmolyte on Molecular Dynamics of Mouse Acetylcholinesterase

P. Masson, T. Seydel, N. Martinez, 2020, Biomolecules.

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

P. Masson, O. Lockridge, L. Schopfer, 2019, Chemico-biological interactions.

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

P. Masson, S. Lushchekina, 2018, Toxicology.

Role of Acetylcholinesterase in β-Amyloid Aggregation Studied by Accelerated Molecular Dynamics

P. Masson, D. Novichkova, S. Lushchekina, 2017 .

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

P. Masson, S. Lushchekina, I. Zueva, 2018, Bioscience reports.

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

Ekaterina D Kots, Maria G Khrenova, Alexander V Nemukhin, 2017, The journal of physical chemistry. B.

Novel Uracil-Based Inhibitors of Acetylcholinesterase with Potency for Treating Memory Impairment in an Animal Model of Alzheimer’s Disease

S. Lushchekina, I. Zueva, V. Semenov, 2022, Molecules.

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

R. Borisov, R. Richardson, S. Lushchekina, 2018, Bioorganic & medicinal chemistry.

Conjugates of Tacrine with Salicylamide as Promising Multitarget Agents for Alzheimer's Disease

R. Richardson, V. Saloutin, S. Lushchekina, 2022, ChemMedChem.

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

S. Bachurin, S. Lushchekina, G. Makhaeva, 2018, Doklady Biochemistry and Biophysics.

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

A. Nemukhin, D. Morozov, S. Varfolomeev, 2010, Chemico-biological interactions.

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

P. Masson, E. Nikolsky, S. Lushchekina, 2015, The International journal of risk & safety in medicine.

Analysis of Apparent Catalytic Parameters of Multiple Molecular Forms of Human Plasma Butyrylcholinesterase by Activity Gel-Scanning Following Non-denaturing Electrophoresis

P. Masson, S. Lushchekina, 2018, BioNanoScience.

Computational Modeling of the SARS-CoV-2 Main Protease Inhibition by the Covalent Binding of Prospective Drug Molecules

Bella L. Grigorenko, Igor V. Polyakov, Alexander V. Nemukhin, 2020, Supercomput. Front. Innov..

Quantum chemical modelling in the research of molecular mechanisms of enzymatic catalysis

B. Grigorenko, A. Nemukhin, S. Varfolomeev, 2012 .

Computational Exploration of Reactivity of 6-Methyluracil/Imidazole-2-Carbaldehyde Oxime Conjugate

P. Masson, S. Lushchekina, K. Petrov, 2017 .

Computational Exploration of Reactivity of 6-Methyluracil/Imidazole-2-Carbaldehyde Oxime Conjugate

P. Masson, S. Lushchekina, K. Petrov, 2016, BioNanoScience.

Computer simulation in molecular medicine and drug design

A. Nemukhin, S. Varfolomeev, S. Lushchekina, 2016, Herald of the Russian Academy of Sciences.

Modeling chemical transformations at the active sites of cholinesterases by quantum-based simulations

A. Nemukhin, S. Varfolomeev, S. Lushchekina, 2015, Moscow University Chemistry Bulletin.

Quantumchemicalmodellingintheresearchofmolecularmechanisms of enzymatic catalysis

B. Grigorenko, A. Nemukhin, S. Varfolomeev, 2012 .

Quantum chemical justification of the specificity of enzyme catalysis: Correlations between the rate of enzyme catalysis by acetylcholinesterase and substrate structure

A. Nemukhin, D. Morozov, S. Varfolomeev, 2009 .

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

B. Grigorenko, A. Nemukhin, D. Morozov, 2013, Chemico-biological interactions.

Modeling of the mechanism of hydrolysis of succinylcholine in the active site of native and modified (Asp70Gly) human butyrylcholinesterase

I. Polyakov, B. Grigorenko, A. Nemukhin, 2010 .

Derivatives of 9-phosphorylated acridine as butyrylcholinesterase inhibitors with antioxidant activity and the ability to inhibit β-amyloid self-aggregation: potential therapeutic agents for Alzheimer’s disease

R. Richardson, S. Bachurin, O. Chupakhin, 2023, Frontiers in pharmacology.

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

G. Aliev, R. Richardson, S. Bachurin, 2019, Scientific Reports.

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

P. Masson, S. Lushchekina, 2018, Toxicology.

Supercomputer Modeling of Dual-Site Acetylcholinesterase (AChE) Inhibition

Sofya V. Lushchekina, Galina F. Makhaeva, Dana A. Novichkova, 2018, Supercomput. Front. Innov..

Combining Experimental and Computational Methods to Produce Conjugates of Anticholinesterase and Antioxidant Pharmacophores with Linker Chemistries Affecting Biological Activities Related to Treatment of Alzheimer’s Disease

I. I. Faingold, S. Bachurin, S. Lushchekina, 2024, Molecules.

2-Arylhydrazinylidene-3-oxo-3-polyfluoroalkylpropanoic acids as selective and effective carboxylesterase inhibitors with powerful antioxidant potential

N. A. Elkina, V. Saloutin, V. Charushin, 2024, Bioorganic & Medicinal Chemistry.

Conjugates of amiridine and thiouracil derivatives as effective inhibitors of butyrylcholinesterase with the potential to block β‐amyloid aggregation

V. Saloutin, S. Lushchekina, G. Makhaeva, 2023, Archiv der Pharmazie.