Investigation of properties of the resveratrol-beta-cyclodextrin inclusion complex by drug-protein interaction spectra and molecular modeling.
- Author:
Ming GUO
;
Min-Zhong ZHAN
;
Yan-Ke JIANG
- Publication Type:Journal Article
- MeSH:
Animals;
Cattle;
Lactoferrin;
chemistry;
Magnetic Resonance Spectroscopy;
Models, Molecular;
Stilbenes;
chemistry;
beta-Cyclodextrins;
chemistry
- From:
Acta Pharmaceutica Sinica
2014;49(5):726-733
- CountryChina
- Language:Chinese
-
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.
