Research Unit Molecular Physical Chemistry, University of Coimbra, Portugal.
Food Funct. 2011 Oct;2(10):595-602. doi: 10.1039/c1fo10098j. Epub 2011 Sep 7.
This study reports an evaluation of the free radical scavenging ability of a series of chromone derivatives, in the light of their structural features and conformational behaviour. The 2,2-diphenyl-1-picrylhydrazyl radical (DPPH˙) test for the assessment of radical scavenging properties was applied, and the interpretation of the experimental results was assisted by ab initio theoretical approaches that allowed relevant parameters, such as the enthalpy of formation of the radical species, to be predicted. From the eighteen tested compounds, three-fisetin, luteolin and quercetin-are shown to act as effective antiradicals. Consistent structure-activity relationships (SARs) were established regarding the antioxidant role of this type of chromone-based system.
本研究根据结构特征和构象行为，评估了一系列色酮衍生物的自由基清除能力。应用 2,2-二苯基-1-苦基肼基自由基（DPPH˙）测试评估自由基清除特性，并通过从头理论方法辅助解释实验结果，该方法可预测相关参数，如自由基物种的生成焓。在所测试的十八种化合物中，三种染料木黄酮、木犀草素和槲皮素被证明具有有效的抗氧化作用。针对这种基于色酮的体系的抗氧化作用，建立了一致的结构-活性关系（SAR）。
