Giant macrolactams based on β-sheet peptides

J Org Chem. 2011 May 6;76(9):3166-73. doi: 10.1021/jo102598n. Epub 2011 Apr 15.

Abstract

This paper reports the use of natural amino acids, the tripeptide β-strand mimic Hao, and the β-turn mimic δ-linked ornithine to generate water-soluble 54-, 78-, and 102-membered-ring macrolactams. These giant macrocycles were efficiently prepared by synthesis of the corresponding protected linear peptides, followed by solution-phase cyclization and deprotection. The protected linear peptide precursors were synthesized on 2-chlorotrityl chloride resin by conventional Fmoc-based solid-phase peptide synthesis. Macrocyclization was typically performed using HCTU and N,N-diisopropylethylamine in DMF at ca. 0.5 mM concentration. The macrocycles were isolated in 13-45% overall yield after HPLC purification and lyophilization. 1D, 2D TOCSY, and 2D ROESY (1)H NMR studies of the 54- and 78-membered-ring macrolactams establish that these compounds fold to form β-sheet structures in aqueous solutions.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Amino Acids, Aromatic / chemistry
  • Drug Design
  • Lactams, Macrocyclic / chemical synthesis*
  • Lactams, Macrocyclic / chemistry*
  • Magnetic Resonance Spectroscopy
  • Ornithine / chemistry
  • Peptides / chemistry*
  • Protein Structure, Secondary
  • Solubility
  • Water / chemistry

Substances

  • Amino Acids, Aromatic
  • Lactams, Macrocyclic
  • Peptides
  • alpha-(3-hydrazinocarbonyl-4-methoxyanilino)-alpha-oxoacetic acid
  • Water
  • Ornithine