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Published on: March 18, 2012
Study of the action of flavonoids on xanthine-oxidase by molecular topology
A M Ponce1, S E Blanco, A S Molina
1Department of Chemistry, Faculty of Chemistry, Biochemistry and Pharmacy, National University of San Luis, Argentina.
Abstract:
A study was performed on xanthine-oxidase inhibition by 22 flavonoids, including flavones, flavonols, flavanones, and chalcones, using UV spectroscopy for experimental data and molecular topology to establish the structure-activity relationship (SAR) model. The flavonoids were classified into four groups according to their activity on xanthine-oxidase (inactive, low, significant, or high), and linear discriminant analysis was used to classify each compound within a group. The results led to a very good model, which was able to classify correctly as xanthine oxidase inhibitors, along with a test set of molecules including a variety of different compounds such as allopurinol, caffeic acid, esculetin, and alloxantin.
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