Establishment of a quantitative structure-activity relationship model for evaluating and predicting the protective potentials of phenolic antioxidants on lipid peroxidation.
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.
Cheng
Zhiyong
Z
The Key Laboratory of Bioorganic & Molecular Engineering and Department of Chemical Biology, College of Chemistry and Molecular Engineering, Peking University, Beijing, China 100871.
Ren
Jie
J
Li
Yuanzong
Y
Chang
Wenbao
W
Chen
Zhida
Z
D000975:Antioxidants / Q000737:chemistry* / Q000494:pharmacology; D004353:Drug Evaluation, Preclinical / Q000379:methods; D015227:Lipid Peroxidation / Q000187:drug effects* / Q000502:physiology; D010636:Phenols / Q000737:chemistry* / Q000494:pharmacology; D011237:Predictive Value of Tests; D021281:Quantitative Structure-Activity Relationship
D000975:Antioxidants; D010636:Phenols