Characterization of the Supermolecular Structure of Polydatin/6-O-α-Maltosyl-β-cyclodextrin Inclusion Complex

en This link goes to a English section pt This link goes to a English section Polydatin is the main bioactive ingredient in many medicinal plants, such as Hu-zhang ( Polygonum cuspidatum ), with many bioactivities. However, its poor aqueous solubility restricts its application in functional food. In this work, 6-O-α-Maltosyl-β-cyclodextrin (Malt-β-CD), a new kind of β-CD derivative was used to enhance the aqueous solubility and stability of polydatin by forming the inclusion complex. The phase solubility study showed that polydatin and Malt-β-CD could form the complex with the stoichiometric ratio of 1:1. The supermolecular structure of the polydatin/Malt-β-CD complex was characterized by ultraviolet–visible spectroscopy (UV), Fourier transform infrared spectroscopy (FT-IR), X-ray diffractometry (XRD), thermogravimetric/differential scanning calorimetry (TG/DSC), and proton nuclear magnetic resonance ( 1 H-NMR) spectroscopy. The changes of the characteristic spectral and thermal properties of polydatin suggested that polydatin could entrap inside the cavity of Malt-β-CD. Furthermore, to reasonably understand the complexation mode, the supermolecular structure of polydatin/Malt-β-CD inclusion complex was postulated by a molecular docking method based on Autodock 4.2.3. It was clearly observed that the ring B of polydatin oriented toward the narrow rim of Malt-β-CD with ring A and glucosyl group practically exposed to the wide rim by hydrogen bonding, which was in a good agreement with the spectral data. Practical Application en This link goes to a English section pt This link goes to a English section Polydatin was a nutraceutical with potential prospect in functional food. In this study, 6-O-α-Maltosyl-β-cyclodextrin, a new kind of β-CD derivative was used to improve its poor aqueous solubility by forming the inclusion complex, which can be used to develop new functional food. The introduced spectral technologies and molecular docking method could be used to characterize other complexes of bioactive compounds with CDs.