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.
Article
in Chinese
| 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.
Full text:
Available
Index:
WPRIM (Western Pacific)
Main subject:
Stilbenes
/
Magnetic Resonance Spectroscopy
/
Models, Molecular
/
Chemistry
/
Beta-Cyclodextrins
/
Lactoferrin
Limits:
Animals
Language:
Chinese
Journal:
Acta Pharmaceutica Sinica
Year:
2014
Type:
Article
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