• 基础研究 •

### 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

1. 1.武汉轻工大学食品科学与工程学院，湖北 武汉 430023；2.大宗粮油精深加工省部共建教育部重点实验室，湖北 武汉 430023
• 出版日期:2017-12-15 发布日期:2017-12-07
• 基金资助:
国家自然科学基金青年科学基金项目（31301415）

### Characterization and Molecular Docking of Inclusion Complex of Quercetin with Modified Cyclodextrins

LI Yun1, ZOU Wei2, SUN Wei1, CAI Hongyan1, ZHU Zhenzhou1, CHEN Xuan1, LI Fang1,2, DING Wenping1,2, SHEN Wangyang1,2,*

1. 1. School of Food Science and Technology, Wuhan Polytechnic University, Wuhan 430023, China; 2. Key Laboratory of the Deep Processing of Bulk Grain and Oil Authorized by Ministry of Education, Wuhan 430023, China
• Online:2017-12-15 Published:2017-12-07

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 ultravioletvisible 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.