Computer modelling of the 3-dimensional structures of the cyanobacterial hepatotoxins microcystin-LR and nodularin

A1 Originalartikel i en vetenskaplig tidskrift (referentgranskad)


Interna författare/redaktörer


Publikationens författare: Lanaras, Cook, Eriksson, Meriluoto, Hotokka
Publiceringsår: 1991
Tidskrift: Toxicon
Tidskriftsakronym: Toxicon
Volym: 29
Nummer: 7
Artikelns första sida, sidnummer: 901
Artikelns sista sida, sidnummer: 906
ISSN: 0041-0101
eISSN: 1879-3150


Abstrakt

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.

Senast uppdaterad 2019-18-09 vid 06:21