Exploring the antioxidant properties of caffeoylquinic and feruloylquinic acids: A computational study on hydroperoxyl radical scavenging and xanthine oxidase …

H Boulebd, M Carmena-Bargueño, H Pérez-Sánchez - Antioxidants, 2023 - mdpi.com
Caffeoylquinic (5-CQA) and feruloylquinic (5-FQA) acids, found in coffee and other plant
sources, are known to exhibit diverse biological activities, including potential antioxidant …

[HTML][HTML] Optimization of the Search for Neuroprotectors among Bioflavonoids

I Belenichev, V Ryzhenko, O Popazova… - Pharmaceuticals, 2024 - mdpi.com
For the first time, to optimize the creation of new neuroprotective agents based on
bioflavonoids, we applied information technologies; these include docking analysis to …

Hydroxytyrosyl oleate is a promising safe additive to inhibit the oxidation of olive oil

YY Qi, T Gong, PT Zhao, YJ Niu, YY Hu, CY Hu… - Food Control, 2023 - Elsevier
The antioxidants used in food oils that are prone to oxidation have attracted broad attention
from the food industry. Hydroxytyrosol is a potent antioxidant, but due to its low solubility in …

Insights on the kinetics and mechanisms of the peroxyl radical scavenging capacity of caftaric acid: The important role of the acid–base equilibrium

H Boulebd, A Mechler, NT Hoa, QV Vo - New Journal of Chemistry, 2022 - pubs.rsc.org
Caftaric acid (CA), also known as cafeoyltartaric acid, is a molecule formed by linking caffeic
acid (3, 4-dihydroxy cinnamic acid) and tartaric acid through an ester moiety. This compound …

Evaluation of the radical scavenging potency and mechanism of natural phenolamides: A DFT study

Z Li, G Sun, M Chen, S Jin, X Hao, C Zhang… - Journal of Molecular …, 2023 - Elsevier
Phenolamides have received increasing interest owing to their diverse pharmacological
activities and health benefits. However, the structure–antioxidant activity relationship and …

Elucidation of reactive oxygen species scavenging pathways of norbergenin utilizing DFT approaches

KU Haq, RA Rusdipoetra… - Royal Society Open …, 2022 - royalsocietypublishing.org
Bergenin is a polyphenolic compound that contains isocoumarin skeletal derived from C-
glycosylated 4-O-methylgallic acid. The biological activities of this compound and its …

Mechanistic Insights into the Antioxidant and Pro-oxidant Activities of Bromophenols from Marine Algae: A DFT Investigation

H Boulebd - The Journal of Organic Chemistry, 2024 - ACS Publications
Marine algae are a rich source of aromatic secondary metabolites, with bromophenols (BPs)
receiving particular attention due to their health benefits. Despite extensive research on BPs …

The scavenging mechanism of hydrazone compounds towards HOO˙ and CH 3 OO˙ radicals: a computational mechanistic and kinetic study

C Kaur, D Mandal - RSC advances, 2025 - pubs.rsc.org
In this study, a detailed DFT investigation was conducted to systematically analyze the
scavenging activity of six hydrazone compounds (1–6) against HOO˙ and CH3OO˙ radicals …

Theoretical and experimental study of a new antioxidant xanthone: Solvent and intramolecular hydrogen bond effects

NSS dos Santos, HB Barbieri, M Pinheiro, TP Fill… - Journal of Molecular …, 2024 - Elsevier
Free radicals are harmful reactive species that cause various problems in the human body.
Antioxidant compounds, such as xanthones found in natural products, can help prevent …