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Three-dimensional structure of the inclusion complex between phloridzin and beta-cyclodextrin.

Yasuko Ishizuka·Masako Fujiwara·Kenji Kanazawa·Tadashi Nemoto·Ken-ichi Fujita·Hiroshi Nakanishi
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Abstract

The inclusion of phloridzin into beta-cyclodextrin was studied as a model of molecular recognition in membranes. Effects on 1H NMR spectra and NOE correlational peaks between phloridzin and beta-cyclodextrin were observed in the complex. Strong NOEs were observed between hydrogens of a phenol group in phloridzin and beta-cyclodextrin. The three-dimensional structure of the inclusion complex between phloridzin and beta-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 beta-cyclodextrin as an entrance of the inclusion and the small rim of beta-cyclodextrin as the entrance. In both cases, the phenol group of phloridzin was included in the hydrophobic space of beta-cyclodextrin.

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Computer SimulationCyclodextrinsHydrophobic and Hydrophilic InteractionsImaging, Three-DimensionalKineticsModels, MolecularNuclear Magnetic Resonance, BiomolecularPhenolsPhlorhizinSolutionsbeta-CyclodextrinsJournal Article

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Yasuko Ishizuka, Masako Fujiwara, Kenji Kanazawa, Tadashi Nemoto, Ken-ichi Fujita, Hiroshi Nakanishi. 2002-10-11. Three-dimensional structure of the inclusion complex between phloridzin and beta-cyclodextrin.. https://doi.org/10.1016/s0008-6215(02)00279-3

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