保秋连, 夏大真, 杨俊丽, 张继祥, 代婷, 李国达, 杨丽娟. 虫草素与二甲基-β-环糊精的包合行为研究[J]. 云南大学学报(自然科学版), 2020, 42(5): 958-965. doi: 10.7540/j.ynu.20190594
引用本文: 保秋连, 夏大真, 杨俊丽, 张继祥, 代婷, 李国达, 杨丽娟. 虫草素与二甲基-β-环糊精的包合行为研究[J]. 云南大学学报(自然科学版), 2020, 42(5): 958-965. doi: 10.7540/j.ynu.20190594
BAO Qiu-lian, XIA Da-zhen, YANG Jun-li, ZHANG Ji-xiang, DAI Ting, LI Guo-da, YANG Li-juan. Study on inclusion behavior of cordycepin and dimethyl-β-cyclodextrin[J]. Journal of Yunnan University: Natural Sciences Edition, 2020, 42(5): 958-965. DOI: 10.7540/j.ynu.20190594
Citation: BAO Qiu-lian, XIA Da-zhen, YANG Jun-li, ZHANG Ji-xiang, DAI Ting, LI Guo-da, YANG Li-juan. Study on inclusion behavior of cordycepin and dimethyl-β-cyclodextrin[J]. Journal of Yunnan University: Natural Sciences Edition, 2020, 42(5): 958-965. DOI: 10.7540/j.ynu.20190594

虫草素与二甲基-β-环糊精的包合行为研究

Study on inclusion behavior of cordycepin and dimethyl-β-cyclodextrin

  • 摘要: 采取饱和溶液法制备了虫草素(COR)与二甲基-β-环糊精(DMβCD)的包合物(COR/DMβCD),采用紫外-可见光谱滴定法计算了包合物的稳定常数,运用核磁共振(NMR)、红外吸收光谱(IR)、扫描电镜(SEM)、X射线粉末衍射(XRD)和热分析(TG)等分析手段对COR/DMβCD包合物进行了结构表征,测定了包合物的水溶性,通过模拟人体胃液和肠液环境考察了包合物的稳定性. 结果表明,COR与DMβCD的包合比为1∶1,COR形成包合后,其溶解度从4.3 mg/mL提高到10.5 mg/mL,稳定性也得到提高;核磁共振分析的结果表明,COR从DMβCD的大口端进入并与之形成包合物. 采用分子对接方法研究了包合机制,模拟出的结合能最低的对接构象与核磁共振分析结果相吻合.

     

    Abstract: The inclusion complex (COR/DMβCD) of cordycepin (COR) and dimethyl-β-cyclodextrin (DMβCD) was prepared by saturated solution method. The stability constant of the inclusion complex were calculated by UV-visible spectroscopy titration. The structure of COR/DMβCD inclusion complex was characterized by nuclear magnetic resonance (NMR), infrared absorption spectroscopy (IR), scanning electron microscopy (SEM), X-ray powder diffraction (XRD) and thermal analysis (TG). The water solubility of the inclusion complex was measured. The stability of the inclusion complex was determined by simulating the decomposition of COR in human gastric juice and intestinal fluid environment. The results showed that the inclusion ratio of COR to DMβCD is 1∶1. After the inclusion of COR with DMβCD, its solubility increased from 4.3 mg/mL to 10.5 mg/mL and its stability has also been improved. The results of NMR analysis indicated that COR entered from the large end of DMβCD and formed a clathrate with it. The molecular docking method was used to study its inclusion mechanism, and the simulated docking conformation with the lowest binding energy was consistent with the results of nuclear magnetic resonance analysis.

     

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