Cytochrome P450-catalyzed degradation of nicotine: Fundamental parameters determining hydroxylation by cytochrome P450 2A6 at the 5′-carbon or the N -Methyl Carbon

Journal of Physical Chemistry B

Volumn 116, Issue 27, 2012, Pages 7827-7840

  Kwiecień, Renata A ^a   Le Questel, Jean Yves ^a   Lebreton, Jacques ^a   Delaforge, Marcel ^a   André, François ^a   Pihan, Emilie ^a   Roussel, Anaïs ^a   Fournial, Anaïs ^a   Paneth, Piotr ^b   Robins, Richard J ^a  

^a Centre National de la Recherche Scientifique   (France)

^b LODZ UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

ABSTRACTING; ATOMS; CARRIER MOBILITY; DEGRADATION; ISOTOPES; MOLECULAR MODELING; MOLECULES; NICOTINE; OXIDATION; QUANTUM THEORY; REACTION KINETICS; SUBSTRATES;

CYTOCHROME P450 2A6; ELECTRONIC REDISTRIBUTION; EXPERIMENTAL VALUES; GEOMETRIC FEATURE; KINETIC ISOTOPE EFFECTS; LOWER ENERGY BARRIERS; QUANTUM MECHANICAL/MOLECULAR MECHANICAL CALCULATIONS; THEORETICAL CALCULATIONS;

CARBON;

EID: 84863848211     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp304276v     Document Type: Article

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