title: Targeting thrombin and factor VIIa: design, synthesis, and inhibitory activity of functionally relevant indolizidinones.
abstract: Guided by molecular modeling, docking experiments, and available X-ray crystal structure data on the serine protease Factor VIIa and thrombin, a series of indolizidinone derivatives was designed and synthesized having diverse functionality at the P1, P2, and P3 sites.
authors.affiliation: Department of Chemistry, Université de Montréal, PO Box 6128, Station Centre-ville, Montréal, QC, Canada. stephen.hanessian@umontreal.ca
authors.forename: Stephen
authors.initials: S
authors.lastname: Hanessian
authors.forename: Eric
authors.initials: E
authors.lastname: Therrien
authors.forename: Kenneth
authors.initials: K
authors.lastname: Granberg
authors.forename: Ingemar
authors.initials: I
authors.lastname: Nilsson
mesh_terms: D018360:Crystallography, X-Ray; D015195:Drug Design; D015942:Factor VIIa / Q000037:antagonists & inhibitors* / Q000737:chemistry*; D005341:Fibrinolysin / Q000737:chemistry; D006801:Humans; D007212:Indolizines / Q000138:chemical synthesis* / Q000494:pharmacology*; D008958:Models, Molecular; D008968:Molecular Conformation; D021241:Spectrometry, Mass, Electrospray Ionization; D013329:Structure-Activity Relationship; D013917:Thrombin / Q000037:antagonists & inhibitors* / Q000737:chemistry*
chemical_list: D007212:Indolizines; D015942:Factor VIIa; D013917:Thrombin; D005341:Fibrinolysin