A spectroscopic and molecular modeling studies of the inclusion complexes of orciprenaline and terbutaline drugs with native and modified cyclodextrins

被引：6
|
作者：
Venkatesh, G. [1 ]
Thulasidhasan, J. [1 ]
Rajendiran, N. [1 ]
机构：
[1] Annamalai Univ, Dept Chem, Chidambaram 608002, Tamil Nadu, India
来源：
JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY | 2014年 / 78卷 / 1-4期
关键词：
Orciprenaline; Terbutaline; Excimer emission; Modified CD; Molecular modeling; PM3; method; BETA-CYCLODEXTRIN; SPECTRAL CHARACTERISTICS; DUAL FLUORESCENCE; EXCIMER FORMATION; DIFFERENT SOLVENTS; AQUEOUS-SOLUTIONS; THERMODYNAMICS; ENCAPSULATION; THERAPY; LABOR;
D O I：
10.1007/s10847-013-0291-4
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The inclusion complexation behavior of orciprenaline (ORC) and terbutaline (TER) with alpha-CD, beta-CD, HP-alpha-CD and HP-beta-CD are examined by absorption, fluorescence, life time and molecular modeling methods. ORC and TER forms 1:1 (CD/drug) inclusion complexes in lower CD concentrations and 1:2 (CD/drug) inclusion complexes with higher CD concentrations. The inclusion of both drugs with HP-CDs was stronger than that of native CDs. Both drugs exhibit dual emission (excimer) in the CD solution, whereas in water single emission is seen. The hydrogen bonding and van der Waals interaction between the drugs and the CD plays an important role in the inclusion complexes. Computational results show the side chain of the drugs encapsulated in the CD cavity. The molecular modeling results by PM3 were in good agreement with the experimental results.
引用
收藏
页码：225 / 237
页数：13
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