Host-guest system of 4-nerolidylcatechol in 2-hydroxypropyl-beta-cyclodextrin: preparation, characterization and molecular modeling
Contribuinte(s) |
Universidade Estadual Paulista (UNESP) |
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Data(s) |
20/05/2014
25/10/2016
20/05/2014
25/10/2016
01/06/2009
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Resumo |
The interaction of 4-nerolidylcatechol (4-NRC), a potent antioxidant agent, and 2-hydroxypropyl-beta-cyclodextrin (HP-beta-CD) was investigated by the solubility method using Fourier transform infrared (FTIR) methods in addition to UV-Vis, (1)H-nuclear magnetic resonance (NMR) spectroscopy and molecular modeling. The inclusion complexes were prepared using grinding, kneading and freeze-drying methods. According to phase solubility studies in water a B(S)-type diagram was found, displaying a stoichiometry complexation of 2:1 (drug:host) and stability constant of 6494 +/- A 837 M(-1). Stoichiometry was established by the UV spectrophotometer using Job's plot method and, also confirmed by molecular modeling. Data from (1)H-NMR, and FTIR, experiments also provided formation evidence of an inclusion complex between 4-NRC and HP-beta-CD. 4-NRC complexation indeed led to higher drug solubility and stability which could probably be useful to improve its biological properties and make it available to oral administration and topical formulations. Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) |
Identificador |
Journal of Inclusion Phenomena and Macrocyclic Chemistry. Dordrecht: Springer, v. 64, n. 1-2, p. 23-35, 2009. 0923-0750 http://hdl.handle.net/11449/184 http://acervodigital.unesp.br/handle/11449/184 10.1007/s10847-009-9532-y WOS:000266009000003 |
Idioma(s) |
eng |
Publicador |
Springer |
Relação |
Journal of Inclusion Phenomena and Macrocyclic Chemistry |
Direitos |
info:eu-repo/semantics/closedAccess |
Palavras-Chave | #4-Nerolidylcatechol #2-Hydroxypropyl-beta-cyclodextrin #Inclusion complex #(1)H-NMR and molecular dynamics |
Tipo |
outro |