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

null Lanaras; null Cook; John Eriksson; Jussi Meriluoto; Matti Hotokka

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

Lanaras, Cook, John Eriksson, Jussi Meriluoto, Matti Hotokka

Research output: Contribution to journal › Article › Scientific › peer-review

38 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 language	Undefined/Unknown
Pages (from-to)	901–906
Journal	Toxicon
Volume	29
Issue number	7
Publication status	Published - 1991
MoE publication type	A1 Journal article-refereed

Cite this

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title = "Computer modelling of the 3-dimensional structures of the cyanobacterial hepatotoxins microcystin-LR and nodularin",

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.",

author = "Lanaras and Cook and John Eriksson and Jussi Meriluoto and Matti Hotokka",

year = "1991",

language = "Odefinierat/ok{\"a}nt",

volume = "29",

pages = "901–906",

journal = "Toxicon",

issn = "0041-0101",

publisher = "Elsevier",

number = "7",

}

TY - JOUR

T1 - Computer modelling of the 3-dimensional structures of the cyanobacterial hepatotoxins microcystin-LR and nodularin

AU - Lanaras, null

AU - Cook, null

AU - Eriksson, John

AU - Meriluoto, Jussi

AU - Hotokka, Matti

PY - 1991

Y1 - 1991

N2 - 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.

AB - 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.

M3 - Artikel

SN - 0041-0101

VL - 29

SP - 901

EP - 906

JO - Toxicon

JF - Toxicon

IS - 7

ER -