Recent advances in the antioxidant activity and mechanisms of chalcone derivatives: A computational review

A Mittal, VK Vashistha, DK Das - Free Radical Research, 2022 - Taylor & Francis
In this review, we have reported the antioxidant mechanisms and structure-antioxidant
activity relationship of several chalcone derivatives, investigated in the recent past, based on …

Theoretical study on the structural and antioxidant properties of some recently synthesised 2, 4, 5-trimethoxy chalcones

G Wang, Y Xue, L An, Y Zheng, Y Dou, L Zhang, Y Liu - Food chemistry, 2015 - Elsevier
The free radical scavenging activity of a series of 2, 4, 5-trimethoxy chalcones has been
computationally explored using the density functional theory (DFT) method. Three potential …

Experimental and theoretical study on DPPH radical scavenging mechanism of some chalcone quinoline derivatives

I Hamlaoui, R Bencheraiet, R Bensegueni… - Journal of Molecular …, 2018 - Elsevier
In this study, the antioxidant capacity of three chalcone derivatives was evaluated by DPPH
free radical scavenging. Experimental data showed low antioxidant activity (IC 50±SD) of …

[HTML][HTML] Antioxidant activities of alkyl substituted pyrazine derivatives of chalcones—in vitro and in silico study

V Stepanić, M Matijašić, T Horvat, D Verbanac… - Antioxidants, 2019 - mdpi.com
Chalcones are polyphenolic secondary metabolites of plants, many of which have
antioxidant activity. Herein, a set of 26 synthetic chalcone derivatives with alkyl substituted …

[HTML][HTML] Theoretical study on the antioxidant properties of 2′-hydroxychalcones: H-atom vs. electron transfer mechanism

Y Xue, Y Zheng, L Zhang, W Wu, D Yu, Y Liu - Journal of molecular …, 2013 - Springer
The free radical scavenging activity of six 2′-hydroxychalcones has been studied in gas
phase and solvents using the density functional theory (DFT) method. The three main …

Synthesis, antioxidant evaluation, and quantitative structure–activity relationship studies of chalcones

PM Sivakumar, PK Prabhakar, M Doble - Medicinal Chemistry Research, 2011 - Springer
Synthesis, antioxidant activity, and quantitative structure–activity relationship (QSAR) of 25
of chalcone derivatives is reported here. They were synthesized by Claisen–Schmidt …

The role of benzylic-allylic hydrogen atoms on the antiradical activity of prenylated natural chalcones: a thermodynamic and kinetic study

H Boulebd - Journal of Biomolecular Structure and Dynamics, 2021 - Taylor & Francis
Prenylated chalcones are a family of natural chalcones that have been reported to exhibit a
high antioxidant activity. In this paper, the density functional calculations are carried out to …

[HTML][HTML] Synthesis, characterization and evaluation of antioxidant activities of some novel chalcones analogues

SA Lahsasni, FH Al Korbi, NAA Aljaber - Chemistry Central Journal, 2014 - Springer
Background Chalcone, an important intermediate of flavonoid synthetic pathway, has been
shown to exhibit diverse biological and pharmacological activities such as anti-cancer …

A DFT study on the structure and radical scavenging activity of newly synthesized hydroxychalcones

Y Xue, L Zhang, Y Li, D Yu, Y Zheng… - Journal of Physical …, 2013 - Wiley Online Library
Quantum‐chemical computations based on the density functional theory have been
employed to study the relation between the structure and the radical scavenging activity of …

Antioxidant and anti-inflammatory related activities of selected synthetic chalcones: structure–activity relationship studies using computational tools

R Gacche, M Khsirsagar, S Kamble… - Chemical and …, 2008 - jstage.jst.go.jp
Synthetic derivatives of 1-(2-hydroxy-3-(2-hydroxy-cyclohexyl)-4, 6-dimethoxy-phenyl)-
methanone were evaluated in-vitro for their activities related to antioxidant and anti …