QSAR of Flavylium Salts as Inhibitors of Xanthine Oxidase

QSAR of Flavylium Salts as Inhibitors of Xanthine Oxidase

A simple QSAR model of xanthine oxidase (XO) inhibitory flavylium salts, which enables prediction of the inhibitory potency of anthocyanidins as a function of their molecular properties, has been developed. The results obtained in the present work help to understand which of the several tautomeric a...

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Veröffentlicht in:Journal of Chemical Information and Computer Sciences 1998-09, Vol.38 (5), p.815-818
Hauptverfasser: Amić, Dragan, Davidović-Amić, Dušanka, Bešlo, Drago, Lučić, Bono, Trinajstić, Nenad
Format: Artikel
Sprache:eng
Schlagworte:
Chemical structures
Computerized information storage and retrieval
Searching
Structure activity relationships
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Zusammenfassung:A simple QSAR model of xanthine oxidase (XO) inhibitory flavylium salts, which enables prediction of the inhibitory potency of anthocyanidins as a function of their molecular properties, has been developed. The results obtained in the present work help to understand which of the several tautomeric anhydrobase species present in nearly neutral solution are mainly responsible for the inhibition of XO.
ISSN:0095-2338
1549-960X
DOI:10.1021/ci980002r