ArticleAntioxidants (Basel, Switzerland)2023
A DFT-Based Mechanism Analysis of the Cyclodextrin Inclusion on the Radical Scavenging Activity of Apigenin.
Article in Antioxidants (Basel, Switzerland), 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed, 8 citations in OpenAlex.
- Bioengineering Insights into Orientation and Structural Stability of Phenyl Methyl Thiazole Derivative with β-Cyclodextrin Through Computational Modeling.Bioengineering (Basel, Switzerland) · 2026Article
- Chemical finger-printing, antioxidant activity and in silico validation of phytometabolites of Octhochloa compressa.Scientific reports · 2025Article
- Cyclodextrin-Based Delivery Systems for Flavonoids: Mechanisms, Advances, Formulation, and Application Opportunities.Antioxidants (Basel, Switzerland) · 2025Review
- Antioxidant activity of an inclusion complex between rutin and β-cyclodextrin: experimental and quantum chemical studies.RSC advances · 2024Article
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Authors and funding
4 authors at 1 institution in 1 country.
Funding
Abstract
Natural flavonoids are renowned for their exceptional antioxidant properties, but their limited water solubility hampers their bioavailability. One approach to enhancing their water solubility and antioxidant activity involves the use of cyclodextrin (CD) inclusion. This study investigated the impact of CD inclusion on the three primary radical scavenging mechanisms associated with flavonoid antioxidant activity, utilizing apigenin as a representative flavonoid and employing density functional theory (DFT) calculations. Initially, the optimized geometries of CD-apigenin inclusion complexes were analyzed, revealing the formation of hydrogen bonds between CD and apigenin. In less polar environments, the inclusion complex strengthened the bond dissociation enthalpies of hydroxyl groups, thereby reducing antioxidant activity. Conversely, in polar environments, the inclusion complex had the opposite effect by lowering proton affinity. These findings align with experimental results demonstrating that CD inclusion complexation enhances flavonoid antioxidant activity in aqueous ethanol solutions.
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Registered trials
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