Relationship between quantum-chemical descriptors of proton dissociation and experimental acidity constants of various hydroxylated coumarins. Identification of the biologically active species for xanthine oxidase inhibition

European Journal of Medicinal Chemistry

Volumn 42, Issue 7, 2007, Pages 1028-1031

  Ferrari, Anna Maria ^a   Sgobba, Miriam ^a   Gamberini, Maria Cristina ^a   Rastelli, Giulio ^a  

^a UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

Author keywords

Coumarin; pKa; Quantum chemical descriptors; Xanthine oxidase inhibitors

Indexed keywords

COUMARIN DERIVATIVE; DAPHNETIN; ESCULETIN; PROTON; XANTHINE OXIDASE;

ARTICLE; DRUG STRUCTURE; ENZYME INHIBITION; HYDROXYLATION; PKA; QUANTUM CHEMISTRY;

COUMARINS; HYDROGEN-ION CONCENTRATION; MOLECULAR STRUCTURE; PROTONS; QUANTUM THEORY; STRUCTURE-ACTIVITY RELATIONSHIP; XANTHINE OXIDASE;

EID: 34250206305     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2006.12.023     Document Type: Article

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