ArticleJournal of molecular modeling2020
Mechanism of antioxidant properties of quercetin and quercetin-DNA complex.
Article in Journal of molecular modeling, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 47 papers.
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Who cites it
47 citing papers in PubMed, 119 citations in OpenAlex.
- Microecological succession and quality enhancement of fermented tomato sour soup by synthetic functional microbiota.Food chemistry: X · 2026Article
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- Alterations in Functional Constituents and Bioactivities of Tartary Buckwheat via Solid-State Fermentation with Three Edible-Medicinal Fungi: A Metabolomics-Based Analysis.Foods (Basel, Switzerland) · 2025Article
- Phytochemicals as Epigenetic Modulators in Chronic Diseases: Molecular Mechanisms.Molecules (Basel, Switzerland) · 2025Review
- Gut Microbiota-Derived Metabolites Orchestrate Metabolic Reprogramming in Diabetic Cardiomyopathy: Mechanisms and Therapeutic Frontiers.FASEB journal : official publication of the Federation of American Societies for Experimental Biology · 2025Review
- Quercetin Can Alleviate ETECK88-Induced Oxidative Stress in Weaned Piglets by Inhibiting Quorum-Sensing Signal Molecule Autoinducer-2 Production in the Cecum.Antioxidants (Basel, Switzerland) · 2025Article
- Pharmacological potential of bioactive compounds inToxicology reports · 2025Review
- Preliminary assessment of cardiovascular effects and chemoinformatic analysis of total aqueous extract and fractions from Inula viscosa leaves.Journal of molecular histology · 2025Article
- [Quercetin ameliorates myocardial injury in diabetic rats by regulating L-type calcium channels].Nan fang yi ke da xue xue bao = Journal of Southern Medical University · 2025Article
- Pharmacological Insights and Therapeutic Applications of Leonurus in Neurological Disorders.Journal of inflammation research · 2025Review
- Alleviatory efficacy of achillea millefolium L. in etoxazole-mediated toxicity in allium cepa L.Scientific reports · 2024Article
- Genotoxic and Anti-Genotoxic Assessments of FermentedFoods (Basel, Switzerland) · 2024Article
- Computational Chemistry Strategies to Investigate the Antioxidant Activity of Flavonoids-An Overview.Molecules (Basel, Switzerland) · 2024Review
- Dietary Polyphenols: Review on Chemistry/Sources, Bioavailability/Metabolism, Antioxidant Effects, and Their Role in Disease Management.Antioxidants (Basel, Switzerland) · 2024Review
- Phytochemical Profiling by UHPLC-Q-TOF/MS and Chemopreventive Effect of Aqueous Extract ofMolecules (Basel, Switzerland) · 2024Article
- Extracts with Nutritional Potential and Their Influence on the Rheological Properties of Dough and Quality Parameters of Bread.Foods (Basel, Switzerland) · 2024Article
- Evaluation of the photoprotective and antioxidant potential of an avobenzone derivative.Frontiers in physiology · 2024Article
- Antimetastatic effect of nanodiamond-conjugated quercetin against colon cancer: an in vivo study.Turkish journal of biology = Turk biyoloji dergisi · 2024Article
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
Abstract
Quercetin is the most abundant flavonoid with potent antioxidant activities. In the current research, the antioxidant properties of quercetin and quercetin-DNA complex were investigated theoretically and experimentally. Free radical scavenging experiments with thiobarbituric acid-reactive substances (TBARS) and 1,1-diphenyl-2-trinitrophenylhydrazine (DPPH) indicate that quercetin can protect DNA from free radical damage, and the antioxidant activity of the quercetin-DNA complex is stronger than quercetin. Deoxyriboseadenine-quercetin-dimethylphosphinic acid (DA-Q-P) model was extracted from molecular docking. The contributions of hydroxyl groups in quercetin and DA-Q-P model molecules to the antioxidant activity were investigated by computation of bond dissociation enthalpy (BDE) parameter and Fukui function, at B3LYP/6-311++G(2d,2p) level of theory. The results outlined that the hydroxyl groups from the B ring (3'-OH and 4'-OH) have a lower BDE compared with the ones from the A and C rings (3-OH, 5-OH, and 7-OH) and hence define antioxidant activity. The computational result based on Fukui function shows that the B ring is an electrophilic region. The interaction of antioxidant with DNA discovered at the molecular level could provide the structural basis of the antioxidant property of active ingredients in the flavonoids. It is of great significance to study the interaction mechanism between the small drug molecules with DNA at the molecular level.
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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.