The influence of molecular conformation upon the self-assembly of cyclohexane diamide diacids

Bioorg Med Chem. 1997 Nov;5(11):2049-61. doi: 10.1016/s0968-0896(97)00139-9.

Abstract

Background: Information regarding the self-association of small peptide motifs can be used in the design of peptide microstructures. Previous work in our laboratories illustrated the self-association of certain diamide diacids into microcapsules. In this report a series of cyclohexane diamide diacids are investigated. The cyclohexylene (R-C6H10-R) system (with its axial and equatorial requirements) provided an opportunity to study the influence of molecular conformation upon the self-aggregation process.

Results: Condensation of the respective cis- and trans-1,2-, 1,3-, and 1,4- cyclohexane dicarboxylic acid platforms with two equivalents of a L-Phe ester followed by deprotection gave the desired diamide diacids. Basic solutions of cis-1,2-, trans-1,3-, and cis-1,4-diamide diacids generated solid microspheres when acidified to pH 2.4. Molecular modeling revealed that 1,3-diaxial interactions favor a helical turn within these diamides.

Conclusions: Access to 'complementary' molecular geometries is needed to self-associate into microscopic architectures.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Amides / chemical synthesis
  • Amides / chemistry*
  • Capsules / chemical synthesis
  • Cyclohexanes / chemistry*
  • Dicarboxylic Acids / chemistry*
  • Drug Design
  • Hydrogen-Ion Concentration
  • Magnetic Resonance Spectroscopy
  • Microscopy, Electron, Scanning
  • Models, Molecular
  • Protein Conformation*
  • Spectroscopy, Fourier Transform Infrared

Substances

  • Amides
  • Capsules
  • Cyclohexanes
  • Dicarboxylic Acids