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Rational development of a novel hydrogel as a pH-sensitive controlled release system for nifedipine

dc.contributor.authorAvila-Salas F.
dc.contributor.authorRodriguez Nuñez Y.A.
dc.contributor.authorMarican A.
dc.contributor.authorCastro R.I.
dc.contributor.authorVillaseñor J.
dc.contributor.authorSantos L.S.
dc.contributor.authorWehinger S.
dc.contributor.authorDurán-Lara E.F.
dc.date.accessioned2020-09-02T22:12:33Z
dc.date.available2020-09-02T22:12:33Z
dc.date.issued2018
dc.identifier10.3390/polym10070806
dc.identifier.citation10, 7, -
dc.identifier.issn20734360
dc.identifier.urihttps://hdl.handle.net/20.500.12728/3651
dc.descriptionThis work depicts the rational development (in-silico design, synthesis, characterization and in-vitro evaluation) of polyvinyl alcohol hydrogels (PVAH) cross-linked with maleic acid (MA) and linked to γ-cyclodextrin molecules (γ -CDPVAHMA) as systems for the controlled and sustained release of nifedipine (NFD). Through computational studies, the structural blocks (PVA chain + dicarboxylic acid + γ-CD) of 20 different hydrogels were evaluated to test their interaction energies (ΔE) with NFD. According to the DE obtained, the hydrogel cross-linked with maleic acid was selected. To characterize the intermolecular interactions between NFD and γ-CDPVAHMA, molecular dynamics simulation studies were carried out. Experimentally, three hydrogel formulations with different proportions of γ-CD (2.43%, 3.61% and 4.76%) were synthesized and characterized. Both loading and release of NFD from the hydrogels were evaluated at acid and basic pH. The computational and experimental results show that γ-CDs linked to the hydrogels were able to form 1:1 inclusion complexes with NFD molecules. Finally, γ-CDPVAHMA-3 demonstrated to be the best pH-sensitive release platform for nifedipine. Its effectiveness could significantly reduce the adverse effects caused by the anticipated release of NFD in the stomach of patients. © 2018 by the authors.
dc.language.isoen
dc.publisherMDPI AG
dc.subjectCrosslinking
dc.subjectCyclodextrin
dc.subjectDrug release
dc.subjectInteraction energy
dc.subjectMolecular simulation
dc.subjectNifedipine
dc.subjectSwelling
dc.subjectThermogravimetric analysis
dc.subjectCarboxylic acids
dc.subjectCrosslinking
dc.subjectCyclodextrins
dc.subjectDrug products
dc.subjectHydrogels
dc.subjectMolecular dynamics
dc.subjectMolecules
dc.subjectpH sensors
dc.subjectPyridine
dc.subjectSwelling
dc.subjectSynthesis (chemical)
dc.subjectTargeted drug delivery
dc.subjectThermogravimetric analysis
dc.subjectComputational studies
dc.subjectControlled release systems
dc.subjectDrug release
dc.subjectInteraction energies
dc.subjectIntermolecular interactions
dc.subjectMolecular dynamics simulations
dc.subjectMolecular simulations
dc.subjectNifedipine
dc.subjectControlled drug delivery
dc.titleRational development of a novel hydrogel as a pH-sensitive controlled release system for nifedipine
dc.typeArticle


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