ArticlePloS one2015
Quantum Chemical Study on the Antioxidation Mechanism of Piceatannol and Isorhapontigenin toward Hydroxyl and Hydroperoxyl Radicals.
Article in PloS one, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed, 26 citations in OpenAlex.
- Electrochemical and Computational Studies Show That Vitamin C Assists Resveratrol, Piceatannol and Oxyresveratrol in Superoxide Scavenging, Suggesting a Superoxide Dismutase Mechanism.International journal of molecular sciences · 2026Article
- Isorhapontigenin: exploring a promising resveratrol analog for disease management through diverse signaling pathways-a review with computational insights.Naunyn-Schmiedeberg's archives of pharmacology · 2025Review
- Antiproliferative Effects in Colorectal Cancer and Stabilisation in Cyclodextrins of the Phytoalexin Isorhapontigenin.Biomedicines · 2023Article
- The Contribution of Theoretical Prediction Studies to the Antioxidant Activity Assessment of the Bioactive Secoiridoids Encountered in Olive Tree Products and By-Products.Molecules (Basel, Switzerland) · 2023Review
- Elucidation of reactive oxygen species scavenging pathways of norbergenin utilizing DFT approaches.Royal Society open science · 2022Article
- The hydroperoxyl antiradical activity of natural hydroxycinnamic acid derivatives in physiological environments: the effects of pH values on rate constants.RSC advances · 2022Article
- Isorhapontigenin Modulates SOX9/TOLLIP Expression to Attenuate Cell Apoptosis and Oxidative Stress in Paraquat-Induced Acute Kidney Injury.Oxidative medicine and cellular longevity · 2022Article
- The radical scavenging activity of muriolide in physiological environments: mechanistic and kinetic insights into double processes.RSC advances · 2021Article
- Is natural fraxin an overlooked radical scavenger?RSC advances · 2021Article
- More Than Resveratrol: New Insights into Stilbene-Based Compounds.Biomolecules · 2020Review
- A thermodynamic and kinetic study of the antioxidant activity of natural hydroanthraquinones.RSC advances · 2020Article
- A theoretical study of the radical scavenging activity of natural stilbenes.RSC advances · 2019Article
- Screening and Evaluation of Xanthine Oxidase Inhibitors fromMolecules (Basel, Switzerland) · 2019Article
- Article
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Authors and funding
5 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
A systematic study of the antioxidation mechanisms behind hydroxyl (•OH) and hydroperoxyl (•OOH) radical scavenging activity of piceatannol (PIC) and isorhapontigenin (ISO) was carried out using density functional theory (DFT) method. Two reaction mechanisms, abstraction (ABS) and radical adduct formation (RAF), were discussed. A total of 24 reaction pathways of scavenging •OH and •OOH with PIC and ISO were investigated in the gas phase and solution. The thermodynamic and kinetic properties of all pathways were calculated. Based on these results, we evaluated the antioxidant activity of every active site of PIC and ISO and compared the abilities of PIC and ISO to scavenge radicals. According to our results, PIC and ISO may act as effective •OH and •OOH scavengers in organism. A4-hydroxyl group is a very important active site for PIC and ISO to scavenge radicals. The introducing of -OH or -OCH3 group to the ortho-position of A4-hydroxyl group would increase its antioxidant activity. Meanwhile, the conformational effect was researched, the results suggest that the presence and pattern of intramolecular hydrogen bond (IHB) are considerable in determining the antioxidant activity of PIC and ISO.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.