COMPUTER MODELING OF THE 3-DIMENSIONAL STRUCTURES OF THE CYANOBACTERIAL HEPATOTOXINS MICROCYSTIN-LR AND NODULARIN

被引：36

作者：

LANARAS, T

COOK, CM

ERIKSSON, JE

MERILUOTO, JAO

HOTOKKA, M

机构：

[1] ABO AKAD UNIV, DEPT BIOL, SF-20500 TURKU, FINLAND

[2] ABO AKAD UNIV, DEPT BIOCHEM & PHARM, SF-20500 TURKU, FINLAND

[3] ABO AKAD UNIV, DEPT PHYS CHEM, SF-20500 TURKU, FINLAND

来源：

TOXICON | 1991年 / 29卷 / 07期

基金：

英国医学研究理事会;

关键词：

D O I：

10.1016/0041-0101(91)90228-J

中图分类号：

R9 [药学];

学科分类号：

1007 ;

摘要：

The 3-dimensional structures of two cyanobacterial hepatotoxins microcystin-LR, a cyclic heptapeptide and nodularin, a cyclic pentapeptide, and the novel amino acid ADDA (3-amino-9-methoxy-2, 6,8-trimethyl- 10-phenyl-4,6-decadienoic acid) were constructed, and optimized using the CHEM-X molecular mechanics program. The peptide rings were planar and of rectangular shape. Optimized ADDA formed a U-shape and a difference in the orientation of ADDA with respect to the peptide ring of the two hepatotoxins was observed.

引用

页码：901 / 906

页数：6

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