title: Structure-based design and synthesis of novel thrombin inhibitors based on phosphinic peptide mimetics.
abstract: Based on the structure of the thrombin--NAPAP complex, phosphinic dipeptide mimetics were designed as novel thrombin inhibitors. Synthesis and evaluation of these inhibitors revealed a promising lead with an IC50 of 0.6 microM.
authors.affiliation: Center for Pharmaceutical Biotechnology and Department of Medicinal Chemistry & Pharmacognosy, University of Illinois at Chicago, 60607-7173, USA.
authors.forename: M
authors.initials: M
authors.lastname: Li
authors.forename: Z
authors.initials: Z
authors.lastname: Lin
authors.forename: M E
authors.initials: ME
authors.lastname: Johnson
mesh_terms: D000991:Antithrombins / Q000737:chemistry* / Q000378:metabolism / Q000494:pharmacology*; D001665:Binding Sites; D003198:Computer Simulation; D004151:Dipeptides / Q000737:chemistry / Q000378:metabolism; D015195:Drug Design; D020128:Inhibitory Concentration 50; D008958:Models, Molecular; D018716:Molecular Mimicry; D010455:Peptides / Q000737:chemistry; D010721:Phosphinic Acids / Q000737:chemistry* / Q000378:metabolism / Q000494:pharmacology*; D010880:Piperidines / Q000737:chemistry / Q000378:metabolism; D013329:Structure-Activity Relationship; D013917:Thrombin / Q000737:chemistry / Q000378:metabolism
chemical_list: D000991:Antithrombins; D004151:Dipeptides; D010455:Peptides; D010721:Phosphinic Acids; D010880:Piperidines; C038708:N(alpha)-(2-naphthylsulfonylglycyl)-4-amidinophenylalanine piperidide; D013917:Thrombin