Experimental and molecular docking investigations on the inclusion mechanism of the complex of phloridzin and hydroxypropyl-beta-cyclodextrin

文献类型： 外文期刊

第一作者： Zhang, Chun-Ling

作者： Zhang, Chun-Ling;Liu, Jie-Chao;Yang, Wen-Bo;Chen, Da-Lei;Jiao, Zhong-Gao

作者机构：

关键词： Phloridzin;Hydroxypropyl-beta-cyclodextrin;Complex;Molecular docking

期刊名称：FOOD CHEMISTRY （ 影响因子：7.514； 五年影响因子：7.516 ）

ISSN：

年卷期：

页码：

收录情况： SCI

摘要： Phloridzin is a nutraceutical. Its use in food, medicine and cosmetics is limited because of its low aqueous solubility and stability limits, but it can be improved by complexing with cyclodextrins. In this study, we investigated the inclusion mechanism between phloridzin and hydroxylpropyl-beta-cyclodextrin (HP-beta-CD) using isothermal titration calorimetry (ITC), ultraviolet-visible spectrometry (UV), infrared spectrometry (IR), proton nuclear magnetic resonance spectroscopy (H-1 NMR) and molecular docking simulations. The ITC results found that the equilibrium binding constant of HP-beta-CD with phloridzin was higher than that of beta-CD. Their inclusion was a spontaneous process with negative Delta G, Delta H and Delta S values. UV spectra showed that the aqueous solubility of phloridzin was enhanced by HP-beta-CD. Our IR analysis verified the inclusion complexation of phloridzin into the HP-beta-CD cavity. The Autodock determined that the substitution distribution of HP-beta-CD influenced not only the orientation and depth degree of phloridzin within the cavity, but also the binding energies. (C) 2016 Elsevier Ltd. All rights reserved.

分类号： TS2`TS201.2

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