Three-dimensional structure of the inclusion complex between phloridzin and β-cyclodextrin Original Research Article

The inclusion of phloridzin into β-cyclodextrin was studied as a model of molecular recognition in membranes. Effects on 1H NMR spectra and NOE correlational peaks between phloridzin and β-cyclodextrin were observed in the complex. Strong NOEs were observed between hydrogens of a phenol group in phloridzin and β-cyclodextrin. The three-dimensional structure of the inclusion complex between phloridzin and β-cyclodextrin was simulated with distance constraints estimated by the intensity of NOE peaks using the DADAS90 programs. Two inclusion possibilities were suggested—the large rim of β-cyclodextrin as an entrance of the inclusion and the small rim of β-cyclodextrin as the entrance. In both cases, the phenol group of phloridzin was included in the hydrophobic space of β-cyclodextrin.