Journal
PHARMACEUTICS
Volume 10, Issue 1, Pages -Publisher
MDPI
DOI: 10.3390/pharmaceutics10010030
Keywords
drug delivery; crosslinking; prednisone; cyclodextrins; swelling; accumulative release; thermogravimetric analysis
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Funding
- FONDECYT project [3170909, 11170155, 11170008]
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This study describes the in-silico rational design, synthesis and evaluation of cross-linked polyvinyl alcohol hydrogels containing gamma-cyclodextrin (gamma-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 gamma-cyclodextrin (gamma-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 gamma-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 gamma-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 gamma-CDHSA was mainly produced with the gamma-CDs linked to the hydrogels. Thus, the unique structures and properties of gamma-CDHSA demonstrated an interesting multiphasic profile that could be utilized as a promising drug carrier for controlled, sustained and localized release of PDN.
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