Investigation of properties of the resveratrol-beta-cyclodextrin inclusion complex by drug-protein interaction spectra and molecular modeling / 药学学报
Acta Pharmaceutica Sinica
;
(12): 726-733, 2014.
Artigo
em Chinês
| WPRIM
| ID: wpr-245021
ABSTRACT
The supramolecular inclusion properties of beta-cyclodextrin (beta-CD) and resveratrol (Res) were investigated using drug-protein interaction spectroscopy method. The differences between the results of interaction spectroscopy method and the results of classical method were compared. The total energy of the stable inclusion of cyclodextrin-resveratrol was calculated by Gaussian theory calculation. The stable inclusions in the process of interaction between resveratrol/inclusion complex and bovine lactgoferrin (BLF) were studied by molecular modeling. The results showed that the interaction spectroscopy method could explain the property of the inclusion in a more sensitive manner, it also interpreted the conveying mechanism of BLF binding with inclusion complex. The molecular modeling result showed consistent results with Gaussian theory calculation; both of the two methods obtained the stable configuration of beta-CD-Res inclusion. The relevant result provided an experimental consequence for the pharmacology research of beta-cyclodextrin-resveratrol inclusion complex as well as offering a new reference to the future research of supramolecular inclusion compound.
Texto completo:
DisponíveL
Índice:
WPRIM (Pacífico Ocidental)
Assunto principal:
Estilbenos
/
Espectroscopia de Ressonância Magnética
/
Modelos Moleculares
/
Química
/
Beta-Ciclodextrinas
/
Lactoferrina
Limite:
Animais
Idioma:
Chinês
Revista:
Acta Pharmaceutica Sinica
Ano de publicação:
2014
Tipo de documento:
Artigo
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