New propranolol analogues: binding and chiral discrimination by cellobiohydrolase Cel7A

Org Biomol Chem. 2006 Aug 21;4(16):3067-76. doi: 10.1039/b605603b. Epub 2006 Jul 19.

Abstract

Novel propranolol analogues have been designed and synthesised and their enantioselective binding to the cellulose degrading enzyme, Cel7A, has been evaluated. Affinity and enantioselectivity have been determined by capillary electrophoresis experiments. Ligands with significantly improved affinity and selectivity have been obtained and an analysis of the results has led to insights concerning the relation between the changes in ligand structure and selectivity as well as affinity to the protein.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Cellulose 1,4-beta-Cellobiosidase / metabolism*
  • Chromatography, High Pressure Liquid
  • Hydrogen Bonding
  • Models, Molecular
  • Propranolol / analogs & derivatives*
  • Propranolol / metabolism
  • Spectrometry, Mass, Fast Atom Bombardment
  • Stereoisomerism

Substances

  • Propranolol
  • Cellulose 1,4-beta-Cellobiosidase