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当前位置: 首页 > 文章 > 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（英文） 食品科学 2017 (23) 45-50
Position: Home > Articles > Characterization and Molecular Docking of Inclusion Complex of Quercetin with Modified Cyclodextrins FOOD SCIENCE 2017 (23) 45-50

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（英文）

作  者：
李赟;邹伟;孙威;蔡红燕;祝振洲;陈轩;李芳;丁文平;沈汪洋
单  位：
武汉轻工大学食品科学与工程学院;大宗粮油精深加工省部共建教育部重点实验室
关键词：
槲皮素;环糊精衍生物;包合物;理化性质;分子对接
摘  要：
槲皮素具有较强的抗氧化活性,对呼吸道炎症和心血管疾病具有一定疗效,在医药行业中受到广泛关注。但是,槲皮素的水溶性和热稳定性较低,使其在医药行业的应用受到限制。环糊精(cyclodextrins,CDs)是一种大环分子,能够与客体分子包合形成包合物,从而有效提高客体分子的溶解性、稳定性和生物利用率。本实验制备槲皮素与β-CD、G-β-CD及G_2-β-CD的包合物,利用相溶解度法研究环糊精与槲皮素的包合效果,利用紫外光谱、傅里叶变换红外光谱、扫描电子显微镜、X射线衍射、热重及差示扫描量热技术表征槲皮素与G-β-CD包合物,借助分子对接研究槲皮素与G-β-CD包合物的超分子结构。结果显示:槲皮素的溶解度与环糊精的浓度呈线性关系,G-β-CD与槲皮素的包合效果最好,且包合后槲皮素的热稳定性提高。分子对接结果表明槲皮素的C环嵌入G-β-CD的空腔中形成包合物。
译  名：
Characterization and Molecular Docking of Inclusion Complex of Quercetin with Modified Cyclodextrins
作  者：
LI Yun;ZOU Wei;SUN Wei;CAI Hongyan;ZHU Zhenzhou;CHEN Xuan;LI Fang;DING Wenping;SHEN Wangyang;School of Food Science and Technology, Wuhan Polytechnic University;Key Laboratory of the Deep Processing of Bulk Grain and Oil Authorized by Ministry of Education;
关键词：
quercetin;;modified cyclodextrins;;inclusion complex;;characterisation;;molecular docking
摘  要：
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 G_2-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.

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