甲氧苄啶-磺丁基醚-β-环糊精包合物的制备、表征及分子模拟

发布时间：2018-03-30 04:36

  本文选题：甲氧苄啶　切入点：磺丁基醚-β-环糊精　出处：《中国药学杂志》2017年13期

【摘要】：目的制备甲氧苄啶-磺丁基醚-β-环糊精包合物,并对其进行条件优化、表征和分子模拟。方法采用超声微波-冷冻干燥法制备包合物,使用Box-Behnken响应面法进行条件优化;采用红外光谱法(FT-IR)、差示扫描量热法(DSC)、粉末X衍射法(XRPD)及核磁共振法(~1H-NMR)对包合物进行表征;采用分子对接技术,模拟包合物的三维构象及结合能;进行溶出度和稳定性实验。结果甲氧苄啶-磺丁基醚-β-环糊精包合物的最佳制备工艺为包合温度为52℃,包合时间为45 min,投料摩尔比为1.7∶1;红外光谱、差示扫描量热图谱、粉末X衍射图谱和核磁共振图谱均表明TMP/SBE7-β-CD包合物形成;分子模拟的包合物最优构象与表征分析相符,包合物结合能为-9.015 kcal·mol~(-1);包合物的TMP溶出速率明显增加,但包合物易吸湿。结论甲氧苄啶-磺丁基醚-β-环糊精包合物制备工艺合理可行,表征方法系统可靠,包合物相对稳定。
[Abstract]:Objective to prepare the inclusion compound of trimethoprim sulfosulfonate Ding Ji ether- 尾 -cyclodextrin and optimize its condition, characterization and molecular simulation. Methods the inclusion compound was prepared by ultrasonic microwave freeze drying method and optimized by Box-Behnken response surface method. The inclusion complexes were characterized by FT-IR, DSC, XRPDand 1H-NMR.The molecular docking technique was used to simulate the three-dimensional conformation and binding energy of the inclusion complexes. Results the optimum preparation process of trimethoprim sulfo#china_person0# ether- 尾 -cyclodextrin inclusion complex was as follows: inclusion temperature 52 鈩，

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