ArticleJournal of molecular modeling2010
Antioxidant mechanisms of Quercetin and Myricetin in the gas phase and in solution--a comparison and validation of semi-empirical methods.
Article in Journal of molecular modeling, 2010. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 19 papers.
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Who cites it
19 citing papers in PubMed.
- Unveiling the Health Potential of Myricetin: Bio-accessibility, Safety Considerations, and Therapeutic Mechanisms.Current pharmaceutical design · 2026Review
- Phenotypic Screening of HPharmaceuticals (Basel, Switzerland) · 2025Article
- Therapeutic Potential of Myricetin in the Treatment of Neurological, Neuropsychiatric, and Neurodegenerative Disorders.CNS & neurological disorders drug targets · 2024Review
- Docking and Electronic Structure of Rutin, Myricetin, and Baicalein Targeting 3CLpro.International journal of molecular sciences · 2023Article
- Carajurin Induces Apoptosis inPharmaceuticals (Basel, Switzerland) · 2022Article
- Theoretical investigations on the antioxidant potential of a non-phenolic compound thymoquinone: a DFT approach.Journal of molecular modeling · 2021Article
- The Flow of the Redox Energy in Quercetin during Its Antioxidant Activity in Water.International journal of molecular sciences · 2020Article
- Article
- Solubility Enhancement of Myricetin by Inclusion Complexation with Heptakis-International journal of molecular sciences · 2020Article
- A computational study on the reaction between fisetin and 2,2-diphenyl-1-picrylhydrazyl (DPPH).Journal of molecular modeling · 2019Article
- Evaluation of the antioxidant potential of myricetin 3-O-α-L-rhamnopyranoside and myricetin 4Journal of molecular modeling · 2019Article
- Examining the reaction between antioxidant compounds and 2,2-diphenyl-1-picrylhydrazyl (DPPH) through a computational investigation.Journal of molecular modeling · 2018Article
- A computational investigation on the antioxidant potential of myricetin 3,4'-di-O-α-L-rhamnopyranoside.Journal of molecular modeling · 2018Article
- Probing the antioxidant potential of phloretin and phlorizin through a computational investigation.Journal of molecular modeling · 2018Article
- A DFT investigation on the structural and antioxidant properties of new isolated interglycosidic O-(1 → 3) linkage flavonols.Journal of molecular modeling · 2016Article
- Review
- Structure-Functional Study of Tyrosine and Methionine Dipeptides: An Approach to Antioxidant Activity Prediction.International journal of molecular sciences · 2015Article
- Computational studies of free radical-scavenging properties of phenolic compounds.Current topics in medicinal chemistry · 2015Review
- Evaluation of the antiradical properties of phenolic acids.International journal of molecular sciences · 2014Article
Corrections and comments
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Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Flavonoids have long been recognized for their general health-promoting properties, of which their antioxidant activity may play an important role. In this work we have studied the properties of two flavonols, quercetin and myricetin, using semi-empirical methods in order to validate the application of the recent Parametric Model 6 and to understand the fundamental difference between the two molecules. Their geometries have been optimized and important molecular properties have been calculated. The energetic of the possible antioxidant mechanisms have also been analyzed. The two studied flavonols do not differ significantly in their molecular properties, but the antioxidant mechanisms by which they may act in solution can be rather different. Moreover, we also show that the Parametric Model 6 can produce reliable information for this type of compounds.
Indexed as
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Registered trials
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.