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采用Chem3D Ultra 8.0和SYBYL进行分子模拟以及相溶解度法探讨羟丙基-β-环糊精对甲氧苄啶包合的可能性,在此基础上用溶剂搅拌法制备甲氧苄啶羟丙基-β-环糊精包合物;单因素实验考察有机溶媒浓度、主客分子物质的量比、温度、搅拌时间、搅拌速度、pH值对包合性能的影响;选择影响较大的因素进行正交实验,以甲氧苄啶的回收率、包合率和载药率为指标,优选出最优工艺条件;并采用薄层色谱法和差示扫描量热法对包合物进行表征和确认。结果表明甲氧苄啶能被羟丙基-β-环糊精包合;最优工艺为主客分子物质的量比为3:1,反应体系pH为7.5,搅拌时间为4 h;薄层色谱法和差示扫描量热法均验证了包合物的形成。甲氧苄啶包合物溶解度较甲氧苄啶原药增加约26倍。
Chem3D Ultra 8.0 and SYBYL were used for molecular simulation and phase solubility method to investigate the possibility of inclusion of trimethoprim with hydroxypropyl-β-cyclodextrin. On this basis, trimethoprim hydroxypropyl β-cyclodextrin inclusion complex. The effects of organic solvent concentration, host-guest molecular weight ratio, temperature, stirring time, stirring speed and pH value on inclusion properties were investigated by single factor experiment. The experiment was carried out. The optimum conditions were obtained by taking the recoveries, inclusion rates and loading rates of trimethoprim as indexes. The inclusion complex was characterized and confirmed by TLC and differential scanning calorimetry . The results showed that trimethoprim could be encapsulated by hydroxypropyl-β-cyclodextrin. The optimal process was that the molar ratio of host to guest was 3: 1, the pH was 7.5 and the stirring time was 4 h. Both the method and the differential scanning calorimetry verify the formation of inclusion complexes. Trimethoprim inclusion complex solubility than trimethoprim drug increased about 26 times.