title: Simple parameterization of non-proteinogenic amino acids for QSAR of antibacterial peptides.
abstract: The antibacterial activity of bovine lactoferricin-(17-31)-pentadecapeptide against Escherichia coli and Staphylococcus aureus is sensitive to substitution of the Trp residues, and synthetic peptides with phenylalanine and any of eight non-proteinogenic aromatic amino acids greatly affected antibiotic activity. Using simple size-related descriptors for the new amino acids it is possible to develop quantitative structure-activity relationships (QSARs) that can be used as tools in the search for more active peptides.
authors.affiliation: Department of Chemistry, University of Tromsø, Norway. tore.lejon@chem.uit.no
authors.forename: Tore
authors.initials: T
authors.lastname: Lejon
authors.forename: John S
authors.initials: JS
authors.lastname: Svendsen
authors.forename: Bengt E
authors.initials: BE
authors.lastname: Haug
mesh_terms: D024322:Amino Acids, Aromatic / Q000235:genetics / Q000378:metabolism*; D000818:Animals; D000900:Anti-Bacterial Agents / Q000737:chemistry* / Q000494:pharmacology*; D002417:Cattle; D003198:Computer Simulation; D015195:Drug Design; D004926:Escherichia coli / Q000187:drug effects; D007781:Lactoferrin / Q000031:analogs & derivatives* / Q000737:chemistry / Q000235:genetics / Q000494:pharmacology*; D008826:Microbial Sensitivity Tests; D010455:Peptides; D021281:Quantitative Structure-Activity Relationship; D013211:Staphylococcus aureus / Q000187:drug effects
chemical_list: D024322:Amino Acids, Aromatic; D000900:Anti-Bacterial Agents; D010455:Peptides; D007781:Lactoferrin