α-·β-·γ-环糊精对Temazepam手性识别的分子模拟筛选  

Chiral Recognition of α-,β-and γ-Cyclodextrin to Temazepam by Computer Simulation Screening

作　　者：刘铁兵[1] 张志强[2] 潘和蹇[2] 方慧生[3] 何华[2,4] 

机构地区：[1]浙江科技学院省农产品生物与化学加工重点实验室,浙江杭州310023 [2]中国药科大学分析化学教研室,江苏南京210009 [3]中国药科大学生物信息学教研室,江苏南京210009 [4]药物质量与安全预警教育部重点实验室,江苏南京210009

出　　处：《安徽农业科学》2011年第6期3174-3175,3219,共3页Journal of Anhui Agricultural Sciences

摘　　要：在相同的模拟条件下,采用α-、β-和γ-CD作为手性拆分试剂,对Temazepam手性拆分进行了模拟研究。结果表明,不同大小的环糊精在识别Temazepam对映体分子时有不同的手性识别能力:α-CD>γ-CD>β-CD。说明在这3种环糊精中,α-CD最适合作为溶剂对Temazepam对映异构体进行拆分,计算机模拟筛选为今后合理选用手性拆分试剂提供了理论依据。Under the same simulation conditions,Temazepam chiral separation was simulated and studied with α-,β-and γ-CD as the reagents.Results indicated that the cyclodextrin with different molecular sizes had different capacity in the chiral recognition of Temazepam enantiomers,which could be shown as α-CDγ-CDβ-CD.Among the three cyclodextrins,α-CD was the most suitable reagent for the separation of Temazepam enantiomers,computer simulation screening provided theoretical basis for the rational use of chiral separation reagents in the future.

关 键 词：环糊精 分子模拟 手性识别 TEMAZEPAM 

分 类 号：S183[农业科学—农业基础科学]