Enantioseparation, in vitro testing, and structural characterization of triple-binding reactivators of organophosphate-inhibited cholinesterases
出版年份 2020 全文链接
标题
Enantioseparation, in vitro testing, and structural characterization of triple-binding reactivators of organophosphate-inhibited cholinesterases
作者
关键词
-
出版物
BIOCHEMICAL JOURNAL
Volume 477, Issue 15, Pages 2771-2790
出版商
Portland Press Ltd.
发表日期
2020-07-08
DOI
10.1042/bcj20200192
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Rational design, synthesis and evaluation of uncharged, “smart” bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase
- (2020) Lukas Gorecki et al. JOURNAL OF BIOLOGICAL CHEMISTRY
- 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
- Butyrylcholinesterase inhibited by nerve agents is efficiently reactivated with chlorinated pyridinium oximes
- (2019) Tamara Zorbaz et al. CHEMICO-BIOLOGICAL INTERACTIONS
- Catalytic bioscavengers as countermeasures against organophosphate nerve agents
- (2018) Moshe Goldsmith et al. CHEMICO-BIOLOGICAL INTERACTIONS
- 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
- Discovery of a potent non-oxime reactivator of nerve agent inhibited human acetylcholinesterase
- (2018) Martijn Constantijn de Koning et al. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
- Reversal of tabun toxicity, enabled by a triazole annulated oxime library-reactivators of acetylcholinesterase
- (2018) Zrinka Kovarik et al. CHEMISTRY-A EUROPEAN JOURNAL
- 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
- An investigation into the applicability of the semiempirical method PM7 for modeling the catalytic mechanism in the enzyme chymotrypsin
- (2017) James J. P. Stewart JOURNAL OF MOLECULAR MODELING
- Limitations in current acetylcholinesterase structure-based design of oxime antidotes for organophosphate poisoning
- (2016) Andrey Kovalevsky et al. Annals of the New York Academy of Sciences
- Design and synthesis of N-substituted-2-hydroxyiminoacetamides and interactions with cholinesterases
- (2016) Nikola Maraković et al. CHEMICO-BIOLOGICAL INTERACTIONS
- Physiological roles for butyrylcholinesterase: A BChE-ghrelin axis
- (2016) Stephen Brimijoin et al. CHEMICO-BIOLOGICAL INTERACTIONS
- Oximes in organophosphate poisoning: 60 years of hope and despair
- (2016) Franz Worek et al. CHEMICO-BIOLOGICAL INTERACTIONS
- HI-6 assisted catalytic scavenging of VX by acetylcholinesterase choline binding site mutants
- (2016) Nikolina Maček Hrvat et al. CHEMICO-BIOLOGICAL INTERACTIONS
- Discovery and Structure–Activity Relationships of a Highly Selective Butyrylcholinesterase Inhibitor by Structure-Based Virtual Screening
- (2016) Satish N. Dighe et al. JOURNAL OF MEDICINAL CHEMISTRY
- 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
- Modeling reactivation of the phosphorylated human butyrylcholinesterase by QM(DFTB)/MM calculations
- (2015) Anna Kulakova et al. JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY
- Enzyme-catalyzed cascade synthesis of hydroxyiminoacetamides
- (2014) Anamarija Knežević et al. TETRAHEDRON LETTERS
- 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
- On the performance of the semiempirical quantum mechanical PM6 and PM7 methods for noncovalent interactions
- (2013) Jiří Hostaš et al. CHEMICAL PHYSICS LETTERS
- Reactivation steps by 2-PAM of tabun-inhibited human acetylcholinesterase: reducing the computational cost in hybrid QM/MM methods
- (2013) Arlan da Silva Gonçalves et al. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
- Peripheral site and acyl pocket define selective inhibition of mouse butyrylcholinesterase by two biscarbamates
- (2012) Anita Bosak et al. ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS
- Why Does the G117H Mutation Considerably Improve the Activity of Human Butyrylcholinesterase against Sarin? Insights from Quantum Mechanical/Molecular Mechanical Free Energy Calculations
- (2012) Yuan Yao et al. BIOCHEMISTRY
- Lead optimization studies towards the discovery of novel carbamates as potent AChE inhibitors for the potential treatment of Alzheimer’s disease
- (2012) Kuldeep K. Roy et al. BIOORGANIC & MEDICINAL CHEMISTRY
- Human butyrylcholinesterase produced in insect cells: huprine-based affinity purification and crystal structure
- (2012) Xavier Brazzolotto et al. FEBS Journal
- Refinement of Structural Leads for Centrally Acting Oxime Reactivators of Phosphylated Cholinesterases
- (2012) Zoran Radić et al. JOURNAL OF BIOLOGICAL CHEMISTRY
- Optimization of parameters for semiempirical methods VI: more modifications to the NDDO approximations and re-optimization of parameters
- (2012) James J. P. Stewart JOURNAL OF MOLECULAR MODELING
- Cholinesterases: Structure, Role, and Inhibition
- (2011) Anita Bosak et al. Arhiv za Higijenu Rada i Toksikologiju-Archives of Industrial Hygiene and Toxicology
- Mechanism of stereoselective interaction between butyrylcholinesterase and ethopropazine enantiomers
- (2011) Goran Šinko et al. BIOCHIMIE
- A halogen-bonding correction for the semiempirical PM6 method
- (2011) Jan Řezáč et al. CHEMICAL PHYSICS LETTERS
- Structural Study of the Complex Stereoselectivity of Human Butyrylcholinesterase for the Neurotoxic V-agents
- (2011) Marielle Wandhammer et al. JOURNAL OF BIOLOGICAL CHEMISTRY
- New Structural Scaffolds for Centrally Acting Oxime Reactivators of Phosphylated Cholinesterases
- (2011) Rakesh K. Sit et al. JOURNAL OF BIOLOGICAL CHEMISTRY
- Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical Methods
- (2011) Jan Řezáč et al. Journal of Chemical Theory and Computation
- Transferable scoring function based on semiempirical quantum mechanical PM6-DH2 method: CDK2 with 15 structurally diverse inhibitors
- (2011) Petr Dobeš et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- An efficient enzymatic approach to (S)-1-aryl-allylamines
- (2011) Anamarija Knežević et al. TETRAHEDRON-ASYMMETRY
- XDS
- (2010) Wolfgang Kabsch ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY
- Features and development ofCoot
- (2010) P. Emsley et al. ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY
- PHENIX: a comprehensive Python-based system for macromolecular structure solution
- (2010) Paul D. Adams et al. ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY
- Pseudo-catalytic scavenging: Searching for a suitable reactivator of phosphorylated butyrylcholinesterase
- (2010) Zrinka Kovarik et al. CHEMICO-BIOLOGICAL INTERACTIONS
- Third-Generation Hydrogen-Bonding Corrections for Semiempirical QM Methods and Force Fields
- (2010) Martin Korth Journal of Chemical Theory and Computation
- electronic Ligand Builder and Optimization Workbench(eLBOW): a tool for ligand coordinate and restraint generation
- (2009) Nigel W. Moriarty et al. ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY
- Butyrylcholinesterase for protection from organophosphorus poisons: Catalytic complexities and hysteretic behavior
- (2009) Patrick Masson et al. ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS
- A Transferable H-Bonding Correction for Semiempirical Quantum-Chemical Methods
- (2009) Martin Korth et al. Journal of Chemical Theory and Computation
- ProbingTorpedo californicaAcetylcholinesterase Catalytic Gorge with Two Novel Bis-functional Galanthamine Derivatives
- (2009) Cecilia Bartolucci et al. JOURNAL OF MEDICINAL CHEMISTRY
- Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation
- (2008) Eugénie Carletti et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started