Molecular modeling of the mechanism of ethyl fatty ester synthesis catalyzed by lipases. Effects of structural water and ethanol initial co-adsorption with the fatty acid

Journal of Molecular Catalysis B: Enzymatic

Volumn 61, Issue 3-4, 2009, Pages 289-295

  Foresti, María Laura ^a   Ferreira, María Luján ^a  

^a UNIVERSIDAD NACIONAL DEL SUR   (Argentina)

Author keywords

Esterification; Lipases; Molecular modeling

Indexed keywords

ACTIVE SITE; ACYL-ENZYMES; CANDIDA ANTARCTICA B; CANDIDA RUGOSA; CATALYTIC TRIAD; CO-ADSORPTION; ENERGY PROFILE; FATTY ESTERS; H-BONDING; H-BONDING NETWORKS; LOWER ENERGIES; ROLE OF WATER; STRUCTURAL WATER; THEORETICAL MODELING;

ACIDS; ADSORPTION; AMINO ACIDS; ENZYMES; ESTERIFICATION; ESTERS; ETHANOL; MOLECULAR MODELING; OLEIC ACID;

DEWATERING;

9 DECENOIC ACID; ALCOHOL; FATTY ACID; FATTY ACID ESTER; HISTIDINE; OLEIC ACID; SERINE; TRIACYLGLYCEROL LIPASE; UNCLASSIFIED DRUG; WATER;

ADSORPTION; ARTICLE; CANDIDA ANTARCTICA; CANDIDA RUGOSA; CATALYSIS; CONTROLLED STUDY; ENERGY; ENZYME ACTIVE SITE; ESTERIFICATION; EXPERIMENTAL STUDY; HYDROGEN BOND; MOLECULAR MODEL; SYNTHESIS; THEORETICAL MODEL;

CANDIDA ANTARCTICA; CANDIDA RUGOSA;

EID: 72049105330     PISSN: 13811177     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molcatb.2009.08.008     Document Type: Article

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