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Pharmaceutics. 2018 Mar 7;10(1). pii: E30. doi: 10.3390/pharmaceutics10010030.

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

Author information

1
Instituto de Química de Recursos Naturales, Universidad de Talca, Talca 3460000, Maule, Chile. amarican@utalca.cl.
2
Centro de Nanotecnología Aplicada, Facultad de Ciencias, Universidad Mayor, Huechuraba 8580000, Región Metropolitana, Chile. faavila@utalca.cl.
3
Centro de Bioinformática y Simulación Molecular (CBSM), Facultad de Ingeniería, Universidad de Talca, Talca 34600000, Maule, Chile. faavila@utalca.cl.
4
Vicerrectoría de Investigación y Postgrado, Universidad Católica del Maule, Talca 3460000, Maule, Chile. ovaldes@ucm.cl.
5
Department of Clinical Biochemistry and Immunohematology, Faculty of Heatlh Sciences, Universidad de Talca, Talca 3460000, Maule, Chile. snunez@utalca.cl.
6
Center for Studies of Exercise, Metabolism and Cancer (CEMC), Universidad de Chile, Independencia 8380000, Región Metropolitana, Chile. snunez@utalca.cl.
7
Instituto de Química de Recursos Naturales, Universidad de Talca, Talca 3460000, Maule, Chile. jvillase@utalca.cl.
8
Instituto de Química de Recursos Naturales, Universidad de Talca, Talca 3460000, Maule, Chile. nfuentealba@utalca.cl.
9
Centro de Bioinformática y Simulación Molecular (CBSM), Facultad de Ingeniería, Universidad de Talca, Talca 34600000, Maule, Chile.
10
Centro de Bioinformática y Simulación Molecular (CBSM), Facultad de Ingeniería, Universidad de Talca, Talca 34600000, Maule, Chile. yargandona@utalca.cl.
11
Departamento de Microbiología, Facultad de Ciencias de la Salud, Universidad de Talca, Talca 3460000, Maule, Chile. vecarrasco@utalca.cl.
12
Instituto de Química de Recursos Naturales, Universidad de Talca, Talca 3460000, Maule, Chile. eduran@utalca.cl.
13
Instituto de Innovación Basada en Ciencia, Universidad de Talca, Talca 3460000, Maule, Chile. eduran@utalca.cl.
14
Biomaterials Laboratory Drug Delivery and Controlled Release, Núcleo Científico Multidisciplinario, Dirección de Investigación, Universidad de Talca, Talca 3460000, Maule, Chile. eduran@utalca.cl.

Abstract

This study describes the in-silico 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 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 γ-cyclodextrin (γ-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 γ-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 γ-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 γ-CDHSA was mainly produced with the γ-CDs linked to the hydrogels. Thus, the unique structures and properties of γ-CDHSA demonstrated an interesting multiphasic profile that could be utilized as a promising drug carrier for controlled, sustained and localized release of PDN.

KEYWORDS:

accumulative release; crosslinking; cyclodextrins; drug delivery; prednisone; swelling; thermogravimetric analysis

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