2020
DOI: 10.3390/antiox9070587
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Antioxidative Action of Ellagic Acid—A Kinetic DFT Study

Abstract: Although one can find numerous studies devoted to the investigation of antioxidative activity of ellagic acid (EA) in the scientific literature, the mechanisms of its action have not yet been fully clarified. Therefore, further kinetic studies are needed to understand its antioxidative capacity completely. This work aims to reveal the underlying molecular mechanisms responsible for the antioxidative action of EA. For this purpose, its reactions with HO• and CCl3OO• radicals were simulated at physiologi… Show more

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Cited by 51 publications
(43 citation statements)
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“…In concert with these findings, in the present study, BCB showed strong scavenging activities against DPPH and superoxide anion radicals and inhibited ROS production in CHO-K1 cells treated with H 2 O 2 . Notably, ellagic acid and chlorogenic acid in BCB have strong antioxidant effects [59,60]. Although the present study did not demonstrate that the mechanism of action of BCB is directly related to antioxidant activity, evidence suggests that antioxidant activity is a contributory factor.…”
Section: Discussioncontrasting
confidence: 78%
“…In concert with these findings, in the present study, BCB showed strong scavenging activities against DPPH and superoxide anion radicals and inhibited ROS production in CHO-K1 cells treated with H 2 O 2 . Notably, ellagic acid and chlorogenic acid in BCB have strong antioxidant effects [59,60]. Although the present study did not demonstrate that the mechanism of action of BCB is directly related to antioxidant activity, evidence suggests that antioxidant activity is a contributory factor.…”
Section: Discussioncontrasting
confidence: 78%
“…In concert with these ndings, in the present study, BCB showed strong scavenging activities against DPPH and superoxide anion radicals and inhibited ROS production in CHO-K1 cells treated with H 2 O 2 . Notably, ellagic acid and chlorogenic acid in BCB have strong antioxidant effects [59,60]. Although the present study did not demonstrate that the mechanism of action of BCB is directly related to antioxidant activity, evidence suggests that antioxidant activity is a contributory factor.…”
Section: Discussioncontrasting
confidence: 78%
“…The kinetic studies of antioxidative action of ellagic acid (EA) under physiological conditions elucidated that the hydroxyl radical (•OH) with EA conforms to hydrogen atom transfer and radical adduct formation mechanisms, whereas the sequential proton loss electron transfer mechanism is responsible for the scavenging of the CCl 3 OO• radical, generating in the organism during the metabolism of CCl 4 . In addition, compared to trolox, EA was found to be more reactive toward •OH, but less reactive toward CCl 3 OO• in which their calculated rate constants are in very good agreement with the corresponding experimental values [ 2 ]. From another viewpoint of antioxidant mechanisms, the computational study for antioxidant mechanisms was carried out using total enthalpy values on the electronic effects of ortho-substituents in dendritic tri-phenolic antioxidants, comprising a common phenol moiety and two other phenol units with electron-donating or electron-withdrawing substituents.…”
mentioning
confidence: 77%