title: New propranolol analogues: binding and chiral discrimination by cellobiohydrolase Cel7A.
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.
authors.affiliation: Organic Chemistry, Department of Chemistry, P.O. Box 124, Lund University, S-221 00, Lund, Sweden.
authors.forename: Alexandra
authors.initials: A
authors.lastname: Fagerström
authors.forename: Mikael
authors.initials: M
authors.lastname: Nilsson
authors.forename: Ulf
authors.initials: U
authors.lastname: Berg
authors.forename: Roland
authors.initials: R
authors.lastname: Isaksson
mesh_terms: D043366:Cellulose 1,4-beta-Cellobiosidase / Q000378:metabolism*; D002851:Chromatography, High Pressure Liquid; D006860:Hydrogen Bonding; D008958:Models, Molecular; D011433:Propranolol / Q000031:analogs & derivatives* / Q000378:metabolism; D016339:Spectrometry, Mass, Fast Atom Bombardment; D013237:Stereoisomerism
chemical_list: D011433:Propranolol; D043366:Cellulose 1,4-beta-Cellobiosidase