title: Focused library approach for identification of new N-acylphenylalanines as VCAM/VLA-4 antagonists.
abstract: A structure-based focused library approach was employed in an effort to identify more lipophilic replacements for the N-benzylpyroglutamyl group of the VCAM/VLA-4 antagonist 2. This effort led to the discovery of two new classes of potent antagonists characterized by the N-(alpha-phenylcyclopentanoyl- and the N-(2,6-dimethylbenzoyl)-derivatives 60 and 64.
authors.affiliation: Roche Research Center, Hoffmann-La Roche Inc., 340 Kingsland Street, Nutley, NJ 07110, USA. li.chen@roche.com
authors.forename: Li
authors.initials: L
authors.lastname: Chen
authors.forename: Richard
authors.initials: R
authors.lastname: Trilles
authors.forename: Dorota
authors.initials: D
authors.lastname: Miklowski
authors.forename: Tai-Nan
authors.initials: TN
authors.lastname: Huang
authors.forename: David
authors.initials: D
authors.lastname: Fry
authors.forename: Robert
authors.initials: R
authors.lastname: Campbell
authors.forename: Karen
authors.initials: K
authors.lastname: Rowan
authors.forename: Virginia
authors.initials: V
authors.lastname: Schwinge
authors.forename: Jefferson W
authors.initials: JW
authors.lastname: Tilley
mesh_terms: D002460:Cell Line; D039041:Integrin alpha4beta1 / Q000037:antagonists & inhibitors*; D008958:Models, Molecular; D015394:Molecular Structure; D010649:Phenylalanine / Q000737:chemistry / Q000494:pharmacology*; D019010:Vascular Cell Adhesion Molecule-1 / Q000187:drug effects*
chemical_list: D039041:Integrin alpha4beta1; D019010:Vascular Cell Adhesion Molecule-1; D010649:Phenylalanine