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- W1566221243 abstract "An inclusion host-guest complex between β-cyclodextrin (β-CD) and L-phenylalanine (LPhe) was investigated using 1H nuclear magnetic resonance spectroscopy and molecular docking techniques. 1H chemical shift changes of β-CD were used to calculate the stability constant (Kstb) of the complex. On the basis of the Hildebrand-Benesi method, the Kstb of the 1:1 complex in D2O solution at 300 K, pD 7.6 was of 25.5 M-1, implying a fast intermolecular exchange rate process. Interestingly, docking simulation indicates the toroidal space can be occupied by L-Phe with two favorable arrangements. For the predicted model with the higher probability score, the L-Phe aromatic ring is facing to the secondary hydroxyl groups of β-CD. Results from NMR and docking simulation are in good agreement with the x-ray structures of β-CD/L-phenylalanine derivatives." @default.
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- W1566221243 date "2002-01-01" @default.
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- W1566221243 doi "https://doi.org/10.2306/scienceasia1513-1874.2002.28.263" @default.
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