A Review on Quantitative Structure-Activity Relationships (QSARs) of Natural and Synthetic Antioxidants Compounds

Abstract

During the last decade an increasing number of reports describe the roles of active oxygen species in the development or exacerbation of various kinds of diseases. Antioxidants are of great interest because of their involvement in important biological and industrial processes. They have been found to possess anticancer, anti-cardiovascular, anti-inflammatory and many other activities. Many attempts have been made to elucidate the QSAR of antioxidants by using different physicochemical parameters. Unfortunately the limited number of antioxidants and the unavailable sigma Hammett values of complex substituents did not lead to significant results in regression analysis. The redox potentials are well correlated to the antioxidant activities. In this report we will attempt to collect and discuss all the published results concerning the QSAR research on natural and synthetic antioxidants compounds.

SAR and QSAR of the Antioxidant Activity of Flavonoids

“…QSARs represent an attempt to correlate physicochemical or structural descriptors of a set of structurally related compounds with their biological (pharmacological, toxicological or ecological) activities or physical properties (quantitative structure-property relationship, QSPR) [31,32]. Molecular descriptors usually include parameters accounting for electronic properties, hydrophobicity, topology, and steric effects.…”

Oxidative rancidity in nuts

“…Synthetic antioxidants approved for food use include phenolic compounds such as butylated hydroxyanisole (BHA), butylated hydroxytoluene (BHT) and tertiarybutylhydroquinone (TBHQ) and non-phenolics such as ascorbic acid, ascorbyl palmitate and erythorbic acid (Lee et al , 1997). Natural antioxidants include carotenoids, ascorbic acid, amino acids and dipeptides, protein hydrolysates, phospholipids, tocols and other naturally occurring phenolic compounds (Kontogiorgis et al , 2005). The effectiveness of natural antioxidants from fruits, vegetables, spices, grains and herbs to combat lipid oxidation has been investigated (Madhujith and Shahidi, 2007;Liyana-Pathirana and Shahidi, 2006;Shahidi, 1997;Shahidi, 2000a).…”

Utilization of Date Seeds Powder as Antioxidant Activities Components in Preparation of Some Baking Products

“…The antioxidant hypothesis says that 'as antioxidants can prevent oxidative damages, increased intakes from the diet will also reduce the risks of chronic diseases' (Stanner et al, 2004). The importance of antioxidant plant phenols is also seen in the efforts of researchers: (a) to increase the content of phenolics in plants (Wilhelm et al, 2000) (b) to produce less hydrophilc derivatives by enzymic modification of their structure with improved pharmacological characteristics (Kontogianni et al, 2003) (c) to explore novel effects (d) to elucidate the quantitative structure-activity relationships of various phenol classes (Nenadis et al, 2003;Kontogiorgis et al, 2005). Phenolic components have been shown, also, to possess benefits, such as antioxidant, anti-carcinogenic, antimicrobial, anti-mutagenic and anti-inflammatory activities, as well as reduction of cardiovascular diseases.…”