An approach based on Density Functional Theory (DFT) calculations to assess the Candida antarctica lipase B selectivity in rutin, isoquercitrin and quercetin acetylation

Journal of Molecular Catalysis B: Enzymatic

Volumn 66, Issue 3-4, 2010, Pages 325-331

  De Oliveira, Eduardo B ^a   Humeau, Catherine ^a   Maia, Elaine R ^b   Chebil, Latifa ^a   Ronat, Evelyne ^a   Monard, Gerald ^c   Ruiz Lopez, Manuel F ^c   Ghoul, Mohamed ^a   Engasser, Jean Marc ^a  

^a UNIVERSITÉ DE LORRAINE   (France)

^b UNIVERSITY OF BRASILIA   (Brazil)

^c UNIVERSITÉ DE LORRAINE   (France)

Author keywords

Bioprocesses; DFT; Docking; Flavonoid; Lipase; Molecular modelling; Substrate selectivity

Indexed keywords

ACETYLATION; ALCOHOLS; CANDIDA; CARBON; CATALYSIS; DOCKING; ENZYMES; ESTERS; FLAVONOIDS; ISOMERS; LIPASES; MOLECULAR MODELING; PHENOLS; QUANTUM CHEMISTRY; SUBSTRATES; YEAST;

BIOPROCESSES; CANDIDA ANTARCTICA LIPASE B; COSMETIC FORMULATIONS; FLAVONOID; QUANTUM CHEMICAL CALCULATIONS; REACTION SELECTIVITY; SUBSTRATE SELECTIVITY; TETRAHEDRAL INTERMEDIATES;

DENSITY FUNCTIONAL THEORY;

ACETIC ACID; ISOQUERCITRIN; LIPASE B; QUERCETIN; RUTOSIDE;

ACETYLATION; ARTICLE; CANDIDA ANTARCTICA; CHEMICAL BOND; DENSITY FUNCTIONAL THEORY; ENZYME ACTIVE SITE; ENZYME MECHANISM; ENZYME SUBSTRATE COMPLEX;

CANDIDA ANTARCTICA;

EID: 77955980575     PISSN: 13811177     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molcatb.2010.06.009     Document Type: Article

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