NCα-gem-dimethylated peptoid side chains: A novel approach for structural control and peptide sequence mimetics

Biopolymers. 2019 Jun;110(6):e23273. doi: 10.1002/bip.23273. Epub 2019 Mar 21.

Abstract

The design of linear peptoid oligomers adopting well-defined secondary structures while mimicking defined peptide primary sequences is a major challenge in the context of drug discovery. To this end, chemists have developed cis-inducing peptoid side chains to build robust polyproline type I helices. However, the number of efficient examples remains scarce and chemical diversity accessible through the use of these side chains is limited. Herein, we introduce an array of NCα-gem-dimethylated peptoid residues mimicking proteinogenic amino acids. Submonomer synthesis and block-coupling approaches were explored to access heterooligomers incorporating these novel types of side chains. NMR studies of monomer and trimer models showed that the NCα-gem-dimethylated groups exert complete cis control on the backbone amide conformation. Lastly, a preliminary molecular modeling study gave an insight into the preferred orientation of the substituents of the NCα-gem-dimethyl side chains relative to the peptoid backbone.

Keywords: cis-trans isomerism; conformational control; oligomer synthesis; peptoid structure.

MeSH terms

  • Amines / chemistry
  • Amino Acid Sequence
  • Isomerism
  • Methylation
  • Molecular Dynamics Simulation
  • Nuclear Magnetic Resonance, Biomolecular
  • Peptides / chemistry
  • Peptoids / chemistry*
  • Protein Structure, Secondary

Substances

  • Amines
  • Peptides
  • Peptoids