Intrinsic reactivity of uric acid with dioxygen: Towards the elucidation of the catalytic mechanism of urate oxidase

Bioorganic Chemistry

Volumn 37, Issue 4, 2009, Pages 111-125

  Altarsha, Muhannad ^a   Castro, Bertrand ^b   Monard, Gérald ^a  

^a NANCY UNIVERSITÉ   (France)

^b SANOFI   (France)

Author keywords

Intrinsic reactivity; Quantum chemistry; Urate oxidase; Uric acid

Indexed keywords

5 HYDROXYISOURATE; OXYGEN; UNCLASSIFIED DRUG; URATE; URATE OXIDASE; URIC ACID;

ARTICLE; CATALYSIS; CHEMICAL REACTION; CHEMICAL STRUCTURE; ELECTRON TRANSPORT; OXIDATION; PRIORITY JOURNAL; QUANTUM MECHANICS; THERMODYNAMICS;

ALLANTOIN; BIOCATALYSIS; CRYSTALLOGRAPHY, X-RAY; OXIDATION-REDUCTION; OXYGEN; QUANTUM THEORY; THERMODYNAMICS; URATE OXIDASE; URIC ACID;

EID: 67650032454     PISSN: 00452068     EISSN: 10902120     Source Type: Journal    
DOI: 10.1016/j.bioorg.2009.05.004     Document Type: Article

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32. ** give 2.4 kcal/mol and 13.7 kcal/mol, respectively. Using a larger basis set (aug-cc-pVTZ) slightly corrects the MP2 value to 6.8 kcal/mol and the DFT value to 12.3 kcal/mol.