Construction of cyclodextrin microporous organic network based drug delivery platform for controllable release and targeting delivery of doxorubicin

Yue, Yun-Da; Cui, Yuanyuan; Yang, Cheng‐Xiong

doi:10.1016/j.ceja.2023.100487

Cited by 3 publications

(1 citation statement)

References 42 publications

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“…CD-based nanomaterials for drug delivery include cyclodextrin nanosponges [ 32 , 33 , 34 , 35 , 36 , 37 , 38 , 39 ], cyclodextrin-based host–guest supramolecular hydrogels [ 40 , 41 , 42 ], porous networks for drug delivery systems [ 43 , 44 , 45 ], and cyclodextrin metal–organic frameworks [ 46 ]. The possibility of decreasing the complexation’s efficiency and solubilization effect with an increase in the amount of cross-linker, especially in cyclodextrin-based nanosponges, has been studied, especially when the amount of drug to be released must be small to avoid cytotoxic effects [ 21 ], particularly in anticancer therapy [ 47 , 48 , 49 , 50 , 51 , 52 , 53 , 54 ].…”

Section: Introductionmentioning

confidence: 99%

Different Drug Mobilities in Hydrophobic Cavities of Host–Guest Complexes between β-Cyclodextrin and 5-Fluorouracil at Different Stoichiometries: A Molecular Dynamics Study in Water

Raffaini,

Elli,

Catauro

et al. 2024

IJMS

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Cyclodextrins (CDs) are cyclic oligosaccharides able to form noncovalent water-soluble complexes useful in many different applications for the solubilization, delivery, and greater bioavailability of hydrophobic drugs. The complexation of 5-fluorouracil (5-FU) with natural or synthetic cyclodextrins permits the solubilization of this poorly soluble anticancer drug. In this theoretical work, the complexes between β-CD and 5-FU are investigated using molecular mechanics (MM) and molecular dynamics (MD) simulations in water. The inclusion complexes are formed thanks to the favorable intermolecular interactions between β-CD and 5-FU. Both 1:1 and 1:2 β-CD/5-FU stoichiometries are investigated, providing insight into their interaction geometries and stability over time in water. In the 1:2 β-CD/5-FU complexes, the intermolecular interactions affect the drug’s mobility, suggesting a two-step release mechanism: a fast release for the more exposed and hydrated drug molecule, with greater freedom of movement near the β-CD rims, and a slow one for the less-hydrated and well-encapsulated and confined drug. MD simulations study the intermolecular interactions between drugs and specific carriers at the atomistic level, suggesting a possible release mechanism and highlighting the role of the impact of the drug concentration on the kinetics process in water. A comparison with experimental data in the literature provides further insights.

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