title: [Investigation of properties of the resveratrol-beta-cyclodextrin inclusion complex by drug-protein interaction spectra and molecular modeling].
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.
authors.forename: Ming
authors.initials: M
authors.lastname: Guo
authors.forename: Min-Zhong
authors.initials: MZ
authors.lastname: Zhan
authors.forename: Yan-Ke
authors.initials: YK
authors.lastname: Jiang
mesh_terms: D000818:Animals; D002417:Cattle; D007781:Lactoferrin / Q000737:chemistry; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D000077185:Resveratrol; D013267:Stilbenes / Q000737:chemistry*; D047392:beta-Cyclodextrins / Q000737:chemistry*
chemical_list: D013267:Stilbenes; D047392:beta-Cyclodextrins; D007781:Lactoferrin; C031215:betadex; D000077185:Resveratrol