Literature DB >> 16355430

Computational design of a human butyrylcholinesterase mutant for accelerating cocaine hydrolysis based on the transition-state simulation.

Daquan Gao1, Hoon Cho, Wenchao Yang, Yongmei Pan, Guangfu Yang, Hsin-Hsiung Tai, Chang-Guo Zhan.   

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Year:  2006        PMID： 16355430      PMCID： PMC2878656          DOI： 10.1002/anie.200503025

Source DB:  PubMed          Journal:  Angew Chem Int Ed Engl        ISSN： 1433-7851            Impact factor:   15.336


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  20 in total

Review 1.  Neurobiology of butyrylcholinesterase.

Authors:  Sultan Darvesh; David A Hopkins; Changiz Geula
Journal:  Nat Rev Neurosci       Date:  2003-02       Impact factor: 34.870

2.  Addiction as a computational process gone awry.

Authors:  A David Redish
Journal:  Science       Date:  2004-12-10       Impact factor: 47.728

3.  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 pages 153-174).

Authors:  S Sparenborg; F Vocci; S Zukin
Journal:  Drug Alcohol Depend       Date:  1997-12-15       Impact factor: 4.492

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

Authors:  H Sun; J El Yazal; O Lockridge; L M Schopfer; S Brimijoin; Y P Pang
Journal:  J Biol Chem       Date:  2000-12-04       Impact factor: 5.157

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

Authors:  Chang-Guo Zhan; Shi-Xian Deng; Jaime G Skiba; Beth A Hayes; Sarah M Tschampel; George C Shields; Donald W Landry
Journal:  J Comput Chem       Date:  2005-07-30       Impact factor: 3.376

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

Authors:  S J Gatley
Journal:  Biochem Pharmacol       Date:  1991-04-15       Impact factor: 5.858

Review 7.  Enhancing cocaine metabolism with butyrylcholinesterase as a treatment strategy.

Authors:  D A Gorelick
Journal:  Drug Alcohol Depend       Date:  1997-12-15       Impact factor: 4.492

8.  Catalytic mechanism and energy barriers for butyrylcholinesterase-catalyzed hydrolysis of cocaine.

Authors:  Chang-Guo Zhan; Daquan Gao
Journal:  Biophys J       Date:  2005-12       Impact factor: 4.033

9.  Fundamental reaction mechanism for cocaine hydrolysis in human butyrylcholinesterase.

Authors:  Chang-Guo Zhan; Fang Zheng; Donald W Landry
Journal:  J Am Chem Soc       Date:  2003-03-05       Impact factor: 15.419

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

Authors:  S J Gatley; R R MacGregor; J S Fowler; A P Wolf; S L Dewey; D J Schlyer
Journal:  J Neurochem       Date:  1990-02       Impact factor: 5.372
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  42 in total

1.  Uricases as therapeutic agents to treat refractory gout: Current states and future directions.

Authors:  Xiaolan Yang; Yonghua Yuan; Chang-Guo Zhan; Fei Liao
Journal:  Drug Dev Res       Date:  2011-12-29       Impact factor: 4.360

2.  Free energy perturbation simulation on transition states and high-activity mutants of human butyrylcholinesterase for (-)-cocaine hydrolysis.

Authors:  Wenchao Yang; Yongmei Pan; Lei Fang; Daquan Gao; Fang Zheng; Chang-Guo Zhan
Journal:  J Phys Chem B       Date:  2010-08-26       Impact factor: 2.991

3.  Reaction pathway and free energy profiles for butyrylcholinesterase-catalyzed hydrolysis of acetylthiocholine.

Authors:  Xi Chen; Lei Fang; Junjun Liu; Chang-Guo Zhan
Journal:  Biochemistry       Date:  2012-02-03       Impact factor: 3.162

4.  Novel pharmacological approaches to treatment of drug overdose and addiction.

Authors:  Chang-Guo Zhan
Journal:  Expert Rev Clin Pharmacol       Date:  2009       Impact factor: 5.045

5.  Enzyme-therapy approaches for the treatment of drug overdose and addiction.

Authors:  Fang Zheng; Chang-Guo Zhan
Journal:  Future Med Chem       Date:  2011-01       Impact factor: 3.808

6.  Design, preparation, and characterization of high-activity mutants of human butyrylcholinesterase specific for detoxification of cocaine.

Authors:  Liu Xue; Mei-Chuan Ko; Min Tong; Wenchao Yang; Shurong Hou; Lei Fang; Junjun Liu; Fang Zheng; James H Woods; Hsin-Hsiung Tai; Chang-Guo Zhan
Journal:  Mol Pharmacol       Date:  2010-10-22       Impact factor: 4.436

7.  Modeling the catalysis of anti-cocaine catalytic antibody: competing reaction pathways and free energy barriers.

Authors:  Yongmei Pan; Daquan Gao; Chang-Guo Zhan
Journal:  J Am Chem Soc       Date:  2008-03-15       Impact factor: 15.419

8.  First-principles calculation of pKa for cocaine, nicotine, neurotransmitters, and anilines in aqueous solution.

Authors:  Haiting Lu; Xi Chen; Chang-Guo Zhan
Journal:  J Phys Chem B       Date:  2007-08-11       Impact factor: 2.991

Review 9.  Rational design of an enzyme mutant for anti-cocaine therapeutics.

Authors:  Fang Zheng; Chang-Guo Zhan
Journal:  J Comput Aided Mol Des       Date:  2007-11-08       Impact factor: 3.686

10.  Reaction Pathway and Free Energy Profile for Cocaine Hydrolase-Catalyzed Hydrolysis of (-)-Cocaine.

Authors:  Junjun Liu; Chang-Guo Zhan
Journal:  J Chem Theory Comput       Date:  2012-03-06       Impact factor: 6.006
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