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| Title: | Structure-antioxidant activity relationships of flavonoids isolated from the resinous exudate of Heliotropium sinuatum |
| Authors: | Modak, B.
Contreras, M.L.
González-Nilo, F.
Torres, R. |
| Keywords: | antioxidant activity
flavonoids
structure-activity relationships
radical stability
theoretical parameters |
| Issue Date: | 17-Jan-2005 |
| Publisher: | Pergamon-Elsevier Science Ltd. |
| Citation: | Bioorganic & Medicinal Chemistry Letters 15 (2): 309-312 |
| Abstract: | Relation ships between the structural characteristics of flavonoids isolated from the resinous exudate of Heliotropium sinuatum and their antioxidant activity were studied. Radical formation energies, DeltaH of dehydrogenation and spin densities were calculated using DFT methods (B3LYP/6-31G*). Results show that studied flavonoids can be divided into two sets according to their activity. It has been found that antioxidant activity depends both on substitution pattern of hydroxyl groups of the flavonoid skeleton and the presence of an unsaturation at the C2-C3 bond. A good tendency between DeltaH of dehydrogenation and antioxidant activity was established |
| Description: | González-Nilo,F. Centro de Bioinformática, Universidad de Talca, 2 Norte 685, Casilla 721, Talca, Chile. |
| URI: | http://dspace.utalca.cl/handle/1950/1663 |
| ISSN: | 0960-894X |
| Appears in Collections: | Artículos en publicaciones ISI - Universidad de Talca
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