食品科学2017，Vol.38Issue(23)：45-50,6.DOI:10.7506/spkx1002-6630-201723008
槲皮素与环糊精衍生物包合物的理化性质和分子对接研究
Characterization and Molecular Docking of Inclusion Complex of Quercetin with Modified Cyclodextrins
摘要
Abstract
Quercetin is of high interest in pharmaceutical industry due to its antioxidant activity and potential therapeutic effects on airway inflammation and cardiovascular diseases. However, the application of quercetin is limited due to its low water solubility and poor stability. Cyclodextrins (CDs) are macrocyclic molecules able to form inclusion complex with guest molecules, effectively enhancing their solubility, stability and bioavailability. In order to overcome the defect of quercetin, we prepared inclusion complexes of quercetin with three different cyclodextrins such as β-CD, G-β-CD and G2-β-CD. The phase solubility study showed that there was a linear relationship between the solubility of quercetin and the molality of CDs, and G-β-CD performed the best among three cyclodextrins in terms of increasing the solubility of quercetin. In order to confirm the formation of inclusion complex, some analytical techniques were applied, such as ultraviolet-visible spectroscopy, Fourier transform infrared (FT-IR) spectroscopy, scanning electron microscopy, X-ray diffraction and thermogravimetric-differential scanning calorimetry. The results revealed that the inclusion complex was formed as expected and the thermal stability of the guest molecule was improved. Furthermore, molecular docking showed that the ring C of quercetin was inserted into the hydrophobic cavity of G-β-CD during the inclusion process.关键词
槲皮素/环糊精衍生物/包合物/理化性质/分子对接Key words
quercetin/modified cyclodextrins/inclusion complex/characterisation/molecular docking分类
轻工纺织引用本文复制引用
李赟,邹伟,孙威,蔡红燕,祝振洲,陈轩,李芳,丁文平,沈汪洋..槲皮素与环糊精衍生物包合物的理化性质和分子对接研究[J].食品科学,2017,38(23):45-50,6.基金项目
国家自然科学基金青年科学基金项目(31301415) （31301415）
