N-alkylated dipeptide amides and related structures as imitations of the melanocortins' active core

Peptides. 2005 Oct;26(10):1997-2016. doi: 10.1016/j.peptides.2004.11.026.

Abstract

Thirty-three low molecular mass structures combining both peptide and peptoid features were prepared and tested on human melanocortin receptors MC1,3-5R. Most of them displayed low micromolar activity with preference for diamines, guanidino and 2-naphthyl derivatives compared to monoacetylated, amino and 3-indolyl counterparts. Some contained L- or D-histidine residues, but the change did not influence affinity. QSAR modelling yielded excellent models for the MC3-5 receptors explaining R2Y=0.89-0.91 and predicting Q2=0.77-0.80 of the affinity variations. One compound displayed MC1R selectivity (13-fold and more). An NMR study of showed that it exists as a mixture of four rotamers at its tertiary amide bonds. Comparisons with earlier data for melanocortin core tetrapeptide analogues indicate that the novel peptide-peptoids interact with the melanocortin receptors in a different way.

Publication types

  • Comparative Study
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Alkylation
  • Amides / chemistry
  • Amides / metabolism*
  • Animals
  • Binding Sites
  • Cell Line
  • Dipeptides / chemical synthesis*
  • Dipeptides / metabolism*
  • Humans
  • Magnetic Resonance Spectroscopy
  • Models, Molecular
  • Molecular Mimicry*
  • Quantitative Structure-Activity Relationship*
  • Receptors, Melanocortin / chemistry
  • Receptors, Melanocortin / metabolism*
  • Spodoptera

Substances

  • Amides
  • Dipeptides
  • Receptors, Melanocortin