ArticleInternational journal of molecular sciences2023
In Vitro and In Silico Study on the Molecular Encapsulation of α-Tocopherol in a Large-Ring Cyclodextrin.
Article in International journal of molecular sciences, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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The trial behind it
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Who cites it
7 citing papers in PubMed.
- Sugar-Based Eutectic Systems Combined with Cyclodextrins for Enhanced Solubility of Carvedilol.Molecules (Basel, Switzerland) · 2026Article
- Cyclodextrins as Active Therapeutic Agents: Beyond Their Role as Excipients.Pharmaceuticals (Basel, Switzerland) · 2025Review
- Cyclodextrins, Surfactants and Their Inclusion Complexes.Molecules (Basel, Switzerland) · 2025Review
- Complexes of Fat-Soluble Vitamins with Cyclodextrins.International journal of molecular sciences · 2025Review
- Improving stabilization of α-tocopherol and α-tocopheryl acetate against oxidation, light and UV radiation by complexation with β-cyclodextrin and starch.Journal of food science and technology · 2025Article
- Cyclodextrin Inclusion Complexes with Hydrocortisone-Type Corticosteroids.Pharmaceutics · 2024Review
- A Review on Cyclodextrins/Estrogens Inclusion Complexes.International journal of molecular sciences · 2023Review
Corrections and comments
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Authors and funding
9 authors.
Funding
Abstract
α-tocopherol is the physiologically most active form of vitamin E, with numerous biological activities, such as significant antioxidant activity, anticancer capabilities, and anti-aging properties. However, its low water solubility has limited its potential use in the food, cosmetic, and pharmaceutical industries. One possible strategy for addressing this issue is the use of a supramolecular complex with large-ring cyclodextrins (LR-CDs). In this study, the phase solubility of the CD26/α-tocopherol complex was investigated to assess the possible ratios between host and guest in the solution phase. Next, the host-guest association of the CD26/α-tocopherol complex at different ratios of 1:2, 1:4, 1:6, 2:1, 4:1, and 6:1 was studied by all-atom molecular dynamics (MD) simulations. At 1:2 ratio, two α-tocopherol units interact spontaneously with CD26, forming an inclusion complex, as supported by the experimental data. In the 2:1 ratio, a single α-tocopherol unit was encapsulated by two CD26 molecules. In comparison, increasing the number of α-tocopherol or CD26 molecules above two led to self-aggregation and consequently limited the solubility of α-tocopherol. The computational and experimental results indicate that a 1:2 ratio could be the most suitable stoichiometry to use in the CD26/α-tocopherol complex to improve α-tocopherol solubility and stability in inclusion complex formation.
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Registered trials
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