Spatial relationships between the pharmacophores of endomorphin-2: a comparative study of stereoisomers

• Authors: Balázs Leitgeb
• Languages of publication: EN

Abstracts

EN

The spatial relationships between the pharmacophore elements were investigated in the case of four different stereoisomeric forms of opioid tetrapeptide, endomorphin-2, taking into account the L-D and cis-trans isomerisms. On the basis of distances and angles measured between the pharmacophoric points, a comparative analysis of conformational distributions was performed, applying a variety of distance-angle maps. The results obtained by this theoretical study indicated that the stereoisomers of endomorphin-2 could be distinguished from one another, based on the comparative analysis of distance-angle maps. Nevertheless, it could be concluded that this method proved to be suitable to examine the effects of L-D and cis-trans isomerisms on the spatial relationships of the pharmacophores of tetrapeptide. [...]

Keywords

EN

Endomorphin; Pharmacophore; Conformational analysis; L-D isomerism; Cis-trans isomerism

• Publisher: De Gruyter Open
• Journal: Open Chemistry
• Year: 2012
• Volume: 10
• Issue: 6
• Pages: 1791-1798

Dates

published

1 - 12 - 2012

online

21 - 9 - 2012

Contributors

author

Balázs Leitgeb

• Institute of Biophysics, Biological Research Centre, Hungarian Academy of Sciences, H-6726, Szeged, Hungary

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Identifiers

DOI

10.2478/s11532-012-0105-3