MOLECULAR MODELING OF SACCHARIDES .4. CYCLODEXTRINS, CYCLOMANNINS, AND CYCLOGALACTINS WITH 5 AND 6 (1-]4)-LINKED SUGAR UNITS - A COMPARATIVE-ASSESSMENT OF THEIR CONFORMATIONS AND HYDROPHOBICITY POTENTIAL PROFILES

被引:65
作者
LICHTENTHALER, FW
IMMEL, S
机构
[1] Institut für Organische Chemie, Technische Hochschule Darmstadt, D-64287 Darmstadt
关键词
D O I
10.1016/S0957-4166(00)86283-7
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
A molecular modeling study of the (1-->4)-linked cyclooligosaccharides containing five and six alpha-D-glucose, alpha-D-mannose, and beta-D-galactose units, respectively, provide a clear conception of their overall conformations, their contact surfaces, and their cavity proportions. A MOLCAD-based generation of their molecular lipophilicity potential (MLP's) gives a lucid picture of their hydrophobic and hydrophilic surface areas, and hence, a first estimation of their inclusion properties.
引用
收藏
页码:2045 / 2060
页数:16
相关论文
共 51 条
[51]  
Wenz G, 1994, ANGEW CHEM, V106, P851, DOI [DOI 10.1002/ANGE.19941060804, 10.1002/ange.19941060804]