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

    Research output: Contribution to journalArticleScientificpeer-review

    35 Citations (Scopus)

    Abstract

    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.
    Original languageUndefined/Unknown
    Pages (from-to)901–906
    JournalToxicon
    Volume29
    Issue number7
    Publication statusPublished - 1991
    MoE publication typeA1 Journal article-refereed

    Cite this