(Q34133353)

31 July 2017

title

Computational redesign of human butyrylcholinesterase for anticocaine medication (English)

1 reference

31 July 2017

Yongmei Pan

1

1 reference

31 July 2017

Daquan Gao

2

1 reference

31 July 2017

Wenchao Yang

3

1 reference

31 July 2017

Hoon Cho

4

1 reference

31 July 2017

Guangfu Yang

5

1 reference

31 July 2017

Hsin-Hsiung Tai

6

1 reference

31 July 2017

Chang-Guo Zhan

7

1 reference

31 July 2017

language of work or name

English

0 references

publication date

7 November 2005

1 reference

Proceedings of the National Academy of Sciences of the United States of America

31 July 2017

published in

1 reference

31 July 2017

volume

102

1 reference

31 July 2017

issue

46

1 reference

31 July 2017

page(s)

16656-16661

1 reference

Molecular dynamics simulation of cocaine binding with human butyrylcholinesterase and its mutants

31 July 2017

cites work

1 reference

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28 July 2018

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Understanding human 15-hydroxyprostaglandin dehydrogenase binding with NAD+ and PGE2 by homology modeling, docking and molecular dynamics simulation

28 July 2018

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First-principle studies of intermolecular and intramolecular catalysis of protonated cocaine

28 July 2018

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Fluorescent cocaine probes: a tool for the selection and engineering of therapeutic antibodies

28 July 2018

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Agents in development for the management of cocaine abuse

28 July 2018

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Treating cocaine addiction with viruses

28 July 2018

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Fundamental reaction mechanism for cocaine hydrolysis in human butyrylcholinesterase

28 July 2018

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28 July 2018

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Anti-cocaine vaccines: antibody protection against relapse

28 July 2018

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Anticocaine catalytic antibodies

28 July 2018

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Chemistry, design, and structure-activity relationship of cocaine antagonists

28 July 2018

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A second-generation vaccine protects against the psychoactive effects of cocaine

28 July 2018

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Predicted Michaelis-Menten complexes of cocaine-butyrylcholinesterase. Engineering effective butyrylcholinesterase mutants for cocaine detoxication

28 July 2018

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Enhancing cocaine metabolism with butyrylcholinesterase as a treatment strategy

28 July 2018

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Metabolism of cocaine and heroin is catalyzed by the same human liver carboxylesterases

28 July 2018

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Site-directed mutagenesis using double-stranded plasmid DNA templates

28 July 2018

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Management of cocaine abuse and dependence

28 July 2018

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Suppression of psychoactive effects of cocaine by active immunization

28 July 2018

1 reference

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Activities of the enantiomers of cocaine and some related compounds as substrates and inhibitors of plasma butyrylcholinesterase

28 July 2018

1 reference

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The Protein Data Bank: a computer-based archival file for macromolecular structures

28 July 2018

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Three-dimensional quantitative structure-activity relationship modeling of cocaine binding by a novel human monoclonal antibody

28 July 2018

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Peripheral cocaine-blocking agents: new medications for cocaine dependence. An introduction to immunological and enzymatic approaches to treating cocaine dependence reported by Fox, Gorelick and Cohen in the immediately succeeding articles (see page

21 January 2018

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Addiction as a computational process gone awry

21 January 2018

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Antibody-catalyzed degradation of cocaine.

21 January 2018

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Rapid stereoselective hydrolysis of (+)-cocaine in baboon plasma prevents its uptake in the brain: implications for behavioral studies.

21 January 2018

1 reference

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Cocaine metabolism accelerated by a re-engineered human butyrylcholinesterase

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0507332102

Re-engineering butyrylcholinesterase as a cocaine hydrolase

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0507332102

Gene transfer of cocaine hydrolase suppresses cardiovascular responses to cocaine in rats

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0507332102

Crystal structure of human butyrylcholinesterase and of its complexes with substrate and products

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0507332102

Mobility of the active site bound paraoxon and sarin in zinc-phosphotriesterase by molecular dynamics simulation and quantum chemical calculation

21 January 2018

1 reference

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Coordination number of zinc ions in the phosphotriesterase active site by molecular dynamics and quantum mechanics

21 January 2018

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Comparison of simple potential functions for simulating liquid water

21 January 2018

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Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

21 January 2018

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An improved cocaine hydrolase: the A328Y mutant of human butyrylcholinesterase is 4-fold more efficient.

21 January 2018

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Wild-type and A328W mutant human butyrylcholinesterase tetramers expressed in Chinese hamster ovary cells have a 16-hour half-life in the circulation and protect mice from cocaine toxicity

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0507332102

Engineering of a monomeric and low-glycosylated form of human butyrylcholinesterase: expression, purification, characterization and crystallization

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0507332102

Natural and artificial enzymes against cocaine. I. Monoclonal antibody 15A10 and the reinforcing effects of cocaine in rats.

21 January 2018

1 reference

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Molecular dynamics with coupling to an external bath

28 October 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0507332102

Role of aspartate 70 and tryptophan 82 in binding of succinyldithiocholine to human butyrylcholinesterase

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/16275916

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Enzyme immunoassay of human cholinesterase (EC 3.1.1.8). Comparison of immunoreactive substance concentration with catalytic activity concentration in randomly selected serum samples from healthy individuals

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/16275916

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Interaction between the peripheral site residues of human butyrylcholinesterase, D70 and Y332, in binding and hydrolysis of substrates

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/16275916

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1073/PNAS.0507332102

1 reference

31 July 2017

0 references

1 reference

31 July 2017

1 reference