title: Design and synthesis of a series of meta aniline-based LFA-1 ICAM inhibitors.
abstract: A series of meta-substituted anilines were designed and synthesized to inhibit the interaction of LFA-1 with ICAM for the treatment of autoimmune disease. Design of these molecules was performed by utilizing a co-crystal structure for structure-based drug design. The resulting molecules were found to be potent and to possess favorable pharmaceutical properties.
authors.affiliation: Biogen Idec, 14 Cambridge Center, Cambridge, MA 02142, USA. kevin.guckian@biogenidec.com
authors.forename: Kevin M
authors.initials: KM
authors.lastname: Guckian
authors.forename: Edward Yin-Shiang
authors.initials: EY
authors.lastname: Lin
authors.forename: Laura
authors.initials: L
authors.lastname: Silvian
authors.forename: Jessica E
authors.initials: JE
authors.lastname: Friedman
authors.forename: Donovan
authors.initials: D
authors.lastname: Chin
authors.forename: Daniel M
authors.initials: DM
authors.lastname: Scott
mesh_terms: D000284:Administration, Oral; D000814:Aniline Compounds / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D000818:Animals; D002626:Chemistry, Pharmaceutical / Q000379:methods*; D020650:Combinatorial Chemistry Techniques; D018360:Crystallography, X-Ray; D015195:Drug Design; D020128:Inhibitory Concentration 50; D018799:Intercellular Adhesion Molecule-1 / Q000187:drug effects*; D016169:Lymphocyte Function-Associated Antigen-1 / Q000737:chemistry*; D008968:Molecular Conformation; D051381:Rats; D013237:Stereoisomerism
chemical_list: D000814:Aniline Compounds; D016169:Lymphocyte Function-Associated Antigen-1; D018799:Intercellular Adhesion Molecule-1