ReviewMolecules (Basel, Switzerland)2024
Computational Chemistry Strategies to Investigate the Antioxidant Activity of Flavonoids-An Overview.
Review in Molecules (Basel, Switzerland), 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
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Who cites it
17 citing papers in PubMed.
- Physicochemical Characterization and Larvicidal Activity of a Rutin-Zn Material againstACS omega · 2026Article
- Natural Antioxidant Activity Evaluation Using Electrochemically Generated Superoxide Radical Anion: The SRAGE Assay.Cell biochemistry and biophysics · 2026Article
- Antioxidant Potential of Schistocerca gregaria (Orthoptera: Acrididae) Extract: HPLC Analysis, Molecular Docking, and Bioassays.Chemistry & biodiversity · 2026Article
- Chemical Profiling and Redox-Target Mapping of Antioxidant Fractions fromPharmaceuticals (Basel, Switzerland) · 2026Article
- Oxidation-derived metabolites sustain the antioxidant network of quercetin.Journal of computer-aided molecular design · 2026Article
- Dietary Polyphenols as Modulators of Redox Signalling: From the Antioxidant-Pro-Oxidant Continuum to Clinical Translation (2015-2025).Current issues in molecular biology · 2026Review
- pH-Dependent Antioxidant Mechanisms of Harmalol Toward HOOInternational journal of molecular sciences · 2026Article
- Flavonoids From Fumana juniperina (Lag. ex Dunal) Aerial Parts: Chemical Characterization, Antioxidant, and Anticholinesterase Activities Supported by In Silico Analysis.Chemistry & biodiversity · 2026Article
- Antioxidant activity at the molecular level: exploring ways of action and computational tools to investigate them.Chemical science · 2025Review
- Integration of transcriptome and metabolome analysis reveals the genes and pathways regulating flavonoids biosynthesis in Cinnamomum camphora.BMC genomic data · 2025Article
- Exploring the NLO Properties of Brominated Dimethoxybenzaldehydes: From Synthesis to Molecular Modeling.The journal of physical chemistry. A · 2025Article
- Article
- Exploring Brazilian Green Propolis Phytochemicals in the Search for Potential Inhibitors of B-RafPharmaceuticals (Basel, Switzerland) · 2025Article
- DFT-Based Elucidation and Evaluation of Selenium-Modified Tacrine Derivatives: Theoretical and Physicochemical Insights for Alzheimer's Disease Therapy.Molecules (Basel, Switzerland) · 2025Article
- Interaction of some phytochemical compounds with Er2O3 nanoparticle: First principle study.Journal of molecular modeling · 2025Article
- Revealing the antioxidant properties of alkyl gallates: a novel approach through quantum chemical calculations and molecular docking.Journal of molecular modeling · 2024Article
- The exploration of therapeutic potential of bioflavonoids in metabolic acidosis and inflammation-associated with acute kidney injury: Therapeutic potential of bioflavonoids in acute kidney injury.International journal of health sciencesArticle
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Authors and funding
6 authors.
Funding
Abstract
Despite several decades of research, the beneficial effect of flavonoids on health is still enigmatic. Here, we focus on the antioxidant effect of flavonoids, which is elementary to their biological activity. A relatively new strategy for obtaining a more accurate understanding of this effect is to leverage computational chemistry. This review systematically presents various computational chemistry indicators employed over the past five years to investigate the antioxidant activity of flavonoids. We categorize these strategies into five aspects: electronic structure analysis, thermodynamic analysis, kinetic analysis, interaction analysis, and bioavailability analysis. The principles, characteristics, and limitations of these methods are discussed, along with current trends.
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