ArticleThe journal of physical chemistry. B2009
Model of human butyrylcholinesterase tetramer by homology modeling and dynamics simulation.
Article in The journal of physical chemistry. B, 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 21 papers.
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Who cites it
21 citing papers in PubMed, 49 citations in OpenAlex.
- Design, Synthesis, In Vitro, and In Silico Studies of 5-(Diethylamino)-2-Formylphenyl Naphthalene-2-Sulfonate Based Thiosemicarbazones as Potent Anti-Alzheimer Agents.Archiv der Pharmazie · 2025Article
- Decoding the role of serum cholinesterase among type 2 diabetes mellitus patients at RIMS, Ranchi - A hospital-based study.Journal of family medicine and primary care · 2025Article
- Long-lasting blocking of interoceptive effects of cocaine by a highly efficient cocaine hydrolase in rats.Scientific reports · 2024Article
- Concurrent Change in Serum Cholinesterase Activity and Midregional-Proadrennomedullin Level Could Predict Patient Outcome following Liver Transplantation.Biomolecules · 2022Observational
- Cryo-electron microscopy of cholinesterases, present and future.Journal of neurochemistry · 2021Review
- A Comprehensive Review of Cholinesterase Modeling and Simulation.Biomolecules · 2021Review
- Tuning Butyrylcholinesterase Inactivation and Reactivation by Polymer-Based Protein Engineering.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2020Article
- Cryo-EM structure of the native butyrylcholinesterase tetramer reveals a dimer of dimers stabilized by a superhelical assembly.Proceedings of the National Academy of Sciences of the United States of America · 2018Article
- A Nanozyme- and Ambient Light-Based Smartphone Platform for Simultaneous Detection of Dual Biomarkers from Exposure to Organophosphorus Pesticides.Analytical chemistry · 2018Article
- Simultaneous detection of dual biomarkers from humans exposed to organophosphorus pesticides by combination of immunochromatographic test strip and ellman assay.Biosensors & bioelectronics · 2018Article
- The C5 Variant of the Butyrylcholinesterase Tetramer Includes a Noncovalently Bound 60 kDa Lamellipodin Fragment.Molecules (Basel, Switzerland) · 2017Article
- Article
- Long-acting cocaine hydrolase for addiction therapy.Proceedings of the National Academy of Sciences of the United States of America · 2016Article
- Transient Expression of Tetrameric Recombinant Human Butyrylcholinesterase in Nicotiana benthamiana.Frontiers in plant science · 2016Article
- Amino-acid mutations to extend the biological half-life of a therapeutically valuable mutant of human butyrylcholinesterase.Chemico-biological interactions · 2014Article
- Butyrylcholinesterase as a prognostic marker: a review of the literature.Journal of cachexia, sarcopenia and muscle · 2013Article
- Modeling of pharmacokinetics of cocaine in human reveals the feasibility for development of enzyme therapies for drugs of abuse.PLoS computational biology · 2012Article
- Active site gating and substrate specificity of butyrylcholinesterase and acetylcholinesterase: insights from molecular dynamics simulations.The journal of physical chemistry. B · 2011Article
- Effects of bambuterol and terbutaline on isolated rat's tracheal smooth muscle.European archives of oto-rhino-laryngology : official journal of the European Federation of Oto-Rhino-Laryngological Societies (EUFOS) : affiliated with the German Society for Oto-Rhino-Laryngology - Head and Neck Surgery · 2010Article
- Butyrylcholinesterase for protection from organophosphorus poisons: catalytic complexities and hysteretic behavior.Archives of biochemistry and biophysics · 2010Review
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
Abstract
A mutant of human butyrylcholinesterase (BChE) with high activity against cocaine would be highly promising as a drug for therapeutic treatment of cocaine abuse and overdose. It is desirable to design a recombinant BChE mutant with a long half-life in human circulation. Studies showed that BChE subunits can be assembled by a peptide containing the proline-rich attachment domain (PRAD) to form a stable tetramer. The models of BChE tetramer complexed with PRAD with various sequences have been constructed, in the present study, on the basis of homology modeling and molecular dynamics simulation of explicit water-solvated systems. The 3D models enable us to understand how the BChE subunits are arranged in the tetramer and how the tetramerization domain of BChE is associated with PRAD to form a stable tetramer of human BChE. It has been shown that the six conserved hydrophobic residues located on the C-terminal of BChE are responsible for the key electrostatic and hydrophobic interactions between the tetramerization domain of BChE and PRAD. The simulated tetramer structures suggest that mutation of three residues, i.e., Phe547, Met554, and Phe561, to other hydrophobic residues may be beneficial for increasing the binding between the tetramerization domain of BChE and PRAD. Thus, the detailed structural insights obtained from this study may be valuable for rational design of a recombinant BChE tetramer with a longer residence time in circulation.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.