Establishment of a quantitative structure–activity relationship model for evaluating and predicting the protective potentials of phenolic antioxidants on lipid peroxidation

✍ Scribed by Zhiyong Cheng; Jie Ren; Yuanzong Li; Wenbao Chang; Zhida Chen

• Publisher: John Wiley and Sons
• Year: 2003
• Tongue: English
• Weight: 126 KB
• Volume: 92
• Category: Article
• ISSN: 0022-3549
• DOI: 10.1002/jps.10301

✦ Synopsis

Antioxidant activities of phenolic compounds have been extensively explored, but the determinant factors underlying their mechanisms of action remain to be elucidated. In the present work, a series of phenolic compounds (hydroxylated connamic, benzoic acid, and polyphenol) were studied for their protection against lipid peroxidation (LPO) in two model experiments, pre-emulsified linoleic acid system and phosphate buffered linolenic acid system. The mechanisms of action as well as activity determinants were investigated by computational chemistry and multiple-linear regression analysis. Upon elucidating the LPO inhibition properties and the relationship between their structural natures and antioxidant activities (SAR), a fairly satisfactory multidescriptor quantitative SAR model was derived, which extended our understanding of LPO inhibition mechanisms and should be valuable in assessing or predicting the anti-LPO activity of phenolic antioxidants.