ArticleJournal of molecular modeling2019
A computational study on the reaction between fisetin and 2,2-diphenyl-1-picrylhydrazyl (DPPH).
Article in Journal of molecular modeling, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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Who cites it
9 citing papers in PubMed.
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- Computational studies on a selection of phosphite esters as antioxidants for polymeric materials.Journal of molecular modeling · 2024Article
- In Vitro Evaluation of Kaempferol-Loaded Hydrogel as pH-Sensitive Drug Delivery Systems.Polymers · 2022Article
- Fisetin and Robinetin antiradical activity under solvent effect: density functional theory study.Journal of molecular modeling · 2022Article
- Current Trends in Computational Quantum Chemistry Studies on Antioxidant Radical Scavenging Activity.Journal of chemical information and modeling · 2022Review
- Styracifoline from the Vietnamese PlantACS omega · 2021Article
- Theoretical investigations on the antioxidant potential of a non-phenolic compound thymoquinone: a DFT approach.Journal of molecular modeling · 2021Article
- Probing structural properties and antioxidant activity mechanisms for eleocarpanthraquinone.Journal of molecular modeling · 2020Article
- Simultaneous Study of Anti-Ferroptosis and Antioxidant Mechanisms of Butein and (Molecules (Basel, Switzerland) · 2020Article
Corrections and comments
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Authors and funding
4 authors.
Funding
Abstract
The strategy of investigating the antioxidant potential of flavonols through the explicit modeling of chemical reactions (initiated to be employed in a previous work from our group) was taken further in this work. Therefore, a theoretical investigation on the reaction between fisetin and 2,2-diphenyl-1-picrylhydrazyl (DPPH) is presented. All the computations were performed using the density functional theory with the B3LYP functional along with the 6-31G(d,p) basis set. Structural, energetic quantities (ΔG and ΔG
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Registered trials
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