SAR and QSAR of the antioxidant activity of flavonoids
D Amic, D Davidovic-Amic, D Beslo… - Current medicinal …, 2007 - ingentaconnect.com
Flavonoids are a group of naturally occurring phytochemicals abundantly present in fruits,
vegetables, and beverages such as wine and tea. In the past two decades, flavonoids have …
vegetables, and beverages such as wine and tea. In the past two decades, flavonoids have …
Radical scavenging mechanisms of phenolic compounds: A quantitative structure-property relationship (QSPR) study
M Platzer, S Kiese, T Tybussek, T Herfellner… - Frontiers in …, 2022 - frontiersin.org
Due to their antioxidant properties, secondary plant metabolites can scavenge free radicals
such as reactive oxygen species and protect foods from oxidation processes. Our aim was to …
such as reactive oxygen species and protect foods from oxidation processes. Our aim was to …
Computational studies of free radical-scavenging properties of phenolic compounds
For more than half a century free radical-induced alterations at cellular and organ levels
have been investigated as a probable underlying mechanism of a number of adverse health …
have been investigated as a probable underlying mechanism of a number of adverse health …
Antioxidant activity of selected phenolic acids–ferric reducing antioxidant power assay and QSAR analysis of the structural features
Phenolic acids are naturally occurring compounds that are known for their antioxidant and
antiradical activity. We present experimental and theoretical studies on the antioxidant …
antiradical activity. We present experimental and theoretical studies on the antioxidant …
Spectroscopic elucidation (FT-IR, FT-Raman and UV-visible) with NBO, NLO, ELF, LOL, drug likeness and molecular docking analysis on 1-(2-ethylsulfonylethyl)-2 …
P Manjusha, JC Prasana, S Muthu… - Computational Biology and …, 2020 - Elsevier
(2-ethylsulfonylethyl)-2-methyl-5-nitro-imidazole (1EMI) C 8 H 13 N 3 O 4 S also known as
Tinidazole, selected for its antiprotozoal property is extensively used for spectroscopic …
Tinidazole, selected for its antiprotozoal property is extensively used for spectroscopic …
Antioxidant and pro-oxidant effects of polyphenolic compounds and structure-activity relationship evidence
Polyphenolic compounds are bioactive substances widely distributed in the vegetable
kingdom. They act as natural antioxidants and their presence contributes to the color, flavor …
kingdom. They act as natural antioxidants and their presence contributes to the color, flavor …
Flavones' and flavonols' antiradical structure–activity relationship—A quantum chemical study
Flavonoids are known for their antiradical capacity, and this ability is strongly structure-
dependent. In this research, the activity of flavones and flavonols in a water solvent was …
dependent. In this research, the activity of flavones and flavonols in a water solvent was …
Polyphenolic phytochemicals in cancer prevention and therapy: bioavailability versus bioefficacy
JM Estrela, S Mena, E Obrador… - Journal of medicinal …, 2017 - ACS Publications
Natural polyphenols are organic chemicals which contain phenol units in their structures.
They show antitumor properties. However, a key problem is their short half-life and low …
They show antitumor properties. However, a key problem is their short half-life and low …
Computational evaluation of the reactivity and pharmaceutical potential of an organic amine: A DFT, molecular dynamics simulations and molecular docking approach
CS Abraham, S Muthu, JC Prasana… - … Acta Part A: Molecular …, 2019 - Elsevier
[N-(carboxymethyl) anilino] acetic acid (PIDAA) molecule has been spectroscopically
characterized and computationally investigated for its fundamental reactive properties by a …
characterized and computationally investigated for its fundamental reactive properties by a …
Improved quantitative structure–activity relationship models to predict antioxidant activity of flavonoids in chemical, enzymatic, and cellular systems
AI Khlebnikov, IA Schepetkin, NG Domina… - Bioorganic & medicinal …, 2007 - Elsevier
Quantitative structure–activity relationship (QSAR) models are useful in understanding how
chemical structure relates to the biological activity of natural and synthetic chemicals and for …
chemical structure relates to the biological activity of natural and synthetic chemicals and for …