Role of the tautomerism of 2-azaadenine and 2-azahypoxanthine in substrate recognition by xanthine oxidase

Journal of Computer-Aided Molecular Design

Volumn 11, Issue 2, 1997, Pages 153-162

  Hernández, Begoña ^a   Orozco, Modesto ^a   Luque, Francisco J ^a  

^a UNIVERSITY OF BARCELONA   (Spain)

Author keywords

Molecular recognition; Quantum mechanics; Tautomerism; Xanthine; Xanthine oxidase

Indexed keywords

CALCULATIONS; CONTINUUM MECHANICS; GASES; SOLUTIONS;

AB INITIO; AQUEOUS SOLVENTS; DENSITY-FUNCTIONAL CALCULATIONS; GAS-PHASES; QUANTUM MECHANICAL COMPUTATIONS; SEMI-EMPIRICAL; SUBSTRATE RECOGNITION; TAUTOMERISM; XANTHINE; XANTHINE OXIDASE;

QUANTUM THEORY;

2 AZAADENINE; 2 AZAHYPOXANTHINE; 2-AZAADENINE; 2-AZAHYPOXANTHINE; ADENINE; DRUG DERIVATIVE; HYPOXANTHINE DERIVATIVE; WATER; XANTHINE OXIDASE;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; ENZYME SPECIFICITY; GAS; IN VITRO STUDY; ISOMERISM; METABOLISM; SOLUTION AND SOLUBILITY; THERMODYNAMICS;

ADENINE; BINDING SITES; GASES; HYPOXANTHINES; ISOMERISM; MODELS, MOLECULAR; MOLECULAR STRUCTURE; SOLUTIONS; SUBSTRATE SPECIFICITY; THERMODYNAMICS; WATER; XANTHINE OXIDASE;

EID: 2342616849     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1008082425628     Document Type: Article

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