Toward the Design of Molecular Chameleons: Flexible Shielding of an Amide Bond Enhances Macrocycle Cell Permeability

Org Lett. 2018 Sep 21;20(18):5737-5742. doi: 10.1021/acs.orglett.8b02447. Epub 2018 Sep 12.

Abstract

A series of macrocycles inspired by natural products were synthesized to investigate how side-chains may shield amide bonds and influence cell permeability. NMR spectroscopy and X-ray crystallography revealed that the phenyl group of phenylalanine, but not the side-chains of homologous or aliphatic amino acids, shields the adjacent amide bond through an intramolecular NH-π interaction. This resulted in increased cell permeability, suggesting that NH-π interactions may be used in the design of molecular chameleons.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Amides / chemistry*
  • Animals
  • Crystallography, X-Ray
  • Lizards
  • Macrocyclic Compounds / chemical synthesis
  • Macrocyclic Compounds / chemistry
  • Macrocyclic Compounds / pharmacology*
  • Magnetic Resonance Spectroscopy
  • Models, Molecular
  • Molecular Structure
  • Permeability / drug effects*

Substances

  • Amides
  • Macrocyclic Compounds