Effect of pH and α-, β- and γ-cyclodextrin on the spectral properties of etoricoxib: spectroscopic and molecular dynamics study

Yousef, Fakhri O.; Ghanem, Raed; Alshraa, Noura H.; Omari, Nosayba M. Al; Bodoor, Khaled; El‐Barghouthi, Musa I.

doi:10.1007/s10847-017-0715-7

Cited by 8 publications

(3 citation statements)

References 34 publications

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“…In comparison to the γ-CD and CD-MOFs without seeds, the CD-MOFs synthesized by the seed-mediated method had a higher K value, which suggested that the CD-MOFs with seeds exhibited a stronger inclusive ability. The results agreed with the reported fluorescence data of CD inclusion complexation, which showed that strong inclusion complexes are usually produced, as indicated by the higher values of complex binding constants. , …”

Section: Results and Discussionsupporting

confidence: 91%

“…The results agreed with the reported fluorescence data of CD inclusion complexation, which showed that strong inclusion complexes are usually produced, as indicated by the higher values of complex binding constants. 32,33 In summary, we first reported the synthesis of γ-CD-MOFs through the seed-mediated method, which provided facile and green techniques, because specialized equipment and complex operating conditions are not required and the risk of sample contamination is usually significantly reduced. To shorten the synthesis time and create smaller crystals, the SNP seeds from debranched starch were selected as a template as a result of their natural abundance of starch and their safety.…”

Section: Journal Of Agricultural and Food Chemistrymentioning

confidence: 99%

See 1 more Smart Citation

Green Synthesis of Cyclodextrin-Based Metal–Organic Frameworks through the Seed-Mediated Method for the Encapsulation of Hydrophobic Molecules

Qiu

Wang

Qin

et al. 2018

J. Agric. Food Chem.

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Metal-organic frameworks (MOFs) are attracting considerable attention as a result of their unique structural properties, such as a high surface area, highly porous topology, and tunable size and shape, which enable them to have potential applications as a new class of carriers for functional agent or drug delivery. However, most of the MOFs and the polymers used are not pharmaceutically acceptable. For the first time, this study successfully conducted the rapid synthesis of cyclodextrin metal-organic frameworks (CD-MOFs) through a facile and green seed-mediated method. The size control, crystal structure, and thermal properties of CD-MOFs with and without seeds were investigated. When 1 mg/mL seed was added, the size of γ-CD-MOF crystals decreased from 6.2 ± 0.8 to 1.8 ± 0.4 μm. The CD-MOFs synthesized though the seed-mediated method had higher crystallinity and thermal stability than those that were not. Furthermore, the CD-MOFs could encapsulate hydrophobic molecules, such as Nile red (NR), which was chosen as a model, and the interaction mechanism between γ-CD-MOFs and NR was investigated. Results showed the formation of a 1:1 complex between NR and CD-MOFs, demonstrating the potential of these polymers as carriers for hydrophobic drug delivery applications.

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Section: Results and Discussionsupporting

confidence: 91%

Section: Journal Of Agricultural and Food Chemistrymentioning

confidence: 99%

Green Synthesis of Cyclodextrin-Based Metal–Organic Frameworks through the Seed-Mediated Method for the Encapsulation of Hydrophobic Molecules

Qiu

Wang

Qin

et al. 2018

J. Agric. Food Chem.

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“…For the last 20 years, various aspects of NSAID complexations with CDs have been taken into account when applying MD simulations. For example, a detailed insight of ketoprofen binding into the β-CD cavity was delivered by Guzzo et al [85] and Yousef et al [88], concentrating on α/β/γ-CD-etoricoxib stability, with regards to the changing pH of the environment.…”

Section: Nsaidsmentioning

confidence: 99%

Application of Molecular Dynamics Simulations in the Analysis of Cyclodextrin Complexes

Mazurek

Szeleszczuk

Gubica

2021

IJMS

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Cyclodextrins (CDs) are highly respected for their ability to form inclusion complexes via host–guest noncovalent interactions and, thus, ensofance other molecular properties. Various molecular modeling methods have found their applications in the analysis of those complexes. However, as showed in this review, molecular dynamics (MD) simulations could provide the information unobtainable by any other means. It is therefore not surprising that published works on MD simulations used in this field have rapidly increased since the early 2010s. This review provides an overview of the successful applications of MD simulations in the studies on CD complexes. Information that is crucial for MD simulations, such as application of force fields, the length of the simulation, or solvent treatment method, are thoroughly discussed. Therefore, this work can serve as a guide to properly set up such calculations and analyze their results.

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The Binding Mechanism Between Cyclodextrins and Anticancer Drug Noscapine: A Spectroscopic and Molecular Docking Study

Hosseiny,

Talebpour,

Garkani-Nejad

et al. 2024

J Fluoresc

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Effect of pH and α-, β- and γ-cyclodextrin on the spectral properties of etoricoxib: spectroscopic and molecular dynamics study

Cited by 8 publications

References 34 publications

Green Synthesis of Cyclodextrin-Based Metal–Organic Frameworks through the Seed-Mediated Method for the Encapsulation of Hydrophobic Molecules

Green Synthesis of Cyclodextrin-Based Metal–Organic Frameworks through the Seed-Mediated Method for the Encapsulation of Hydrophobic Molecules

Application of Molecular Dynamics Simulations in the Analysis of Cyclodextrin Complexes

The Binding Mechanism Between Cyclodextrins and Anticancer Drug Noscapine: A Spectroscopic and Molecular Docking Study

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