Rational design of an enzyme mutant for anti-cocaine therapeutics

Journal of Computer-Aided Molecular Design

Volumn 22, Issue 9, 2008, Pages 661-671

  Zheng, Fang ^a   Zhan, Chang Guo ^a  

^a UNIVERSITY OF KENTUCKY   (United States)

Author keywords

Anti cocaine medication; Cocaine abuse; Enzymatic reaction; Hydrolysis mechanism; Rational enzyme redesign; Transition state

Indexed keywords

CATALYSIS; EFFICIENCY; ENZYMATIC HYDROLYSIS; STRUCTURAL DESIGN;

ANTI-COCAINE MEDICATION; BUTYRYLCHOLINESTERASE; CATALYTIC MECHANISMS; COCAINE ABUSE; COMPUTATIONAL DESIGN; ENZYMATIC REACTION; HIGH ACTIVITY; HYDROLYSIS MECHANISM; RATIONAL ENZYME REDESIGN; TRANSITION STATE;

METABOLISM;

ALANINE; CHOLINESTERASE; COCAINE; GLYCINE; MUTANT PROTEIN; SERINE; TRYPTOPHAN; TYROSINE;

ARTICLE; CATALYSIS; COCAINE DEPENDENCE; DRUG DESIGN; DRUG EFFICACY; DRUG RESEARCH; DRUG STRUCTURE; ENZYME SUBSTRATE COMPLEX; GENE MUTATION; HUMAN; HYDROLYSIS; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR MODEL; PRIORITY JOURNAL; SIMULATION; STRUCTURE ACTIVITY RELATION;

EID: 50249182994     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-007-9144-9     Document Type: Article

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