title: Accurate prediction of xanthine oxidase inhibition based on the structure of flavonoids.
abstract: The flavonoid family shows a high potential for inhibition of xanthine oxidase. Currently, more than 4,000 flavonoids are known. The data of this study indicate that a planar structure is necessary for high inhibitory activity towards xanthine oxidase. Moreover, the contribution of a hydroxyl conjugate turns out to be a constant factor when the natural logarithm of IC(50) values is taken. This finding allows us to accurately predict the IC(50) value of any given hydroxyl group added to the basic flavone structure towards xanthine oxidase. This new method may provide an important research tool for elucidating the role that flavonoids may have in radical related diseases.
authors.affiliation: Numico Research, Wageningen, The Netherlands.
authors.forename: Danny E C
authors.initials: DE
authors.lastname: Van Hoorn
authors.forename: Robert J
authors.initials: RJ
authors.lastname: Nijveldt
authors.forename: Paul A M
authors.initials: PA
authors.lastname: Van Leeuwen
authors.forename: Zandrie
authors.initials: Z
authors.lastname: Hofman
authors.forename: Laura
authors.initials: L
authors.lastname: M'Rabet
authors.forename: Dries B A
authors.initials: DB
authors.lastname: De Bont
authors.forename: Klaske
authors.initials: K
authors.lastname: Van Norren
mesh_terms: D004791:Enzyme Inhibitors / Q000737:chemistry* / Q000494:pharmacology; D005419:Flavonoids / Q000737:chemistry* / Q000494:pharmacology; D005544:Forecasting; D013329:Structure-Activity Relationship; D014969:Xanthine Oxidase / Q000037:antagonists & inhibitors* / Q000378:metabolism
chemical_list: D004791:Enzyme Inhibitors; D005419:Flavonoids; D014969:Xanthine Oxidase