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Rational Design, Synthesis and Evaluation of ?-CD-Containing Cross-Linked Polyvinyl Alcohol Hydrogel as a Prednisone Delivery Platform.


ABSTRACT: This study describes the in-silico rational design, synthesis and evaluation of cross-linked polyvinyl alcohol hydrogels containing ?-cyclodextrin (?-CDHSAs) as platforms for the sustained release of prednisone (PDN). Through in-silico studies using semi-empirical quantum mechanical calculations, the effectiveness of 20 dicarboxylic acids to generate a specific cross-linked hydrogel capable of supporting different amounts of ?-cyclodextrin (?-CD) was evaluated. According to the interaction energies calculated with the in-silico studies, the hydrogel made from PVA cross-linked with succinic acids (SA) was shown to be the best candidate for containing ?-CD. Later, molecular dynamics simulation studies were performed in order to evaluate the intermolecular interactions between PDN and three cross-linked hydrogel formulations with different proportions of ?-CD (2.44%, 4.76% and 9.1%). These three cross-linked hydrogels were synthesized and characterized. The loading and the subsequent release of PDN from the hydrogels were investigated. The in-silico and experimental results showed that the interaction between PDN and ?-CDHSA was mainly produced with the ?-CDs linked to the hydrogels. Thus, the unique structures and properties of ?-CDHSA demonstrated an interesting multiphasic profile that could be utilized as a promising drug carrier for controlled, sustained and localized release of PDN.

SUBMITTER: Marican A 

PROVIDER: S-EPMC5874843 | biostudies-other | 2018 Mar

REPOSITORIES: biostudies-other

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Rational Design, Synthesis and Evaluation of γ-CD-Containing Cross-Linked Polyvinyl Alcohol Hydrogel as a Prednisone Delivery Platform.

Marican Adolfo A   Avila-Salas Fabián F   Valdés Oscar O   Wehinger Sergio S   Villaseñor Jorge J   Fuentealba Natalia N   Arenas-Salinas Mauricio M   Argandoña Yerko Y   Carrasco-Sánchez Verónica V   Durán-Lara Esteban F EF  

Pharmaceutics 20180307 1


This study describes the <i>in-silico</i> rational design, synthesis and evaluation of cross-linked polyvinyl alcohol hydrogels containing γ-cyclodextrin (γ-CDHSAs) as platforms for the sustained release of prednisone (PDN). Through <i>in-silico</i> studies using semi-empirical quantum mechanical calculations, the effectiveness of 20 dicarboxylic acids to generate a specific cross-linked hydrogel capable of supporting different amounts of γ-cyclodextrin (γ-CD) was evaluated. According to the int  ...[more]

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