title: Small molecule inhibitors of anthrax lethal factor toxin.
abstract: This manuscript describes the preparation of new small molecule inhibitors of Bacillus anthracis lethal factor. Our starting point was the symmetrical, bis-quinolinyl compound 1 (NSC 12155). Optimization of one half of this molecule led to new LF inhibitors that were desymmetrized to afford more drug-like compounds.
authors.affiliation: Microbiotix, Inc., Department of Medicinal Chemistry, One Innovation Drive, Worcester, MA 01605, United States; Microbiotix, Inc., Department of Molecular Biology, One Innovation Drive, Worcester, MA 01605, United States.
authors.forename: John D
authors.initials: JD
authors.lastname: Williams
authors.affiliation: Microbiotix, Inc., Department of Medicinal Chemistry, One Innovation Drive, Worcester, MA 01605, United States; Microbiotix, Inc., Department of Molecular Biology, One Innovation Drive, Worcester, MA 01605, United States.
authors.forename: Atiyya R
authors.initials: AR
authors.lastname: Khan
authors.affiliation: Microbiotix, Inc., Department of Medicinal Chemistry, One Innovation Drive, Worcester, MA 01605, United States; Microbiotix, Inc., Department of Molecular Biology, One Innovation Drive, Worcester, MA 01605, United States.
authors.forename: Steven C
authors.initials: SC
authors.lastname: Cardinale
authors.affiliation: Microbiotix, Inc., Department of Medicinal Chemistry, One Innovation Drive, Worcester, MA 01605, United States; Microbiotix, Inc., Department of Molecular Biology, One Innovation Drive, Worcester, MA 01605, United States.
authors.forename: Michelle M
authors.initials: MM
authors.lastname: Butler
authors.affiliation: Microbiotix, Inc., Department of Medicinal Chemistry, One Innovation Drive, Worcester, MA 01605, United States; Microbiotix, Inc., Department of Molecular Biology, One Innovation Drive, Worcester, MA 01605, United States.
authors.forename: Terry L
authors.initials: TL
authors.lastname: Bowlin
authors.affiliation: Microbiotix, Inc., Department of Medicinal Chemistry, One Innovation Drive, Worcester, MA 01605, United States; Microbiotix, Inc., Department of Molecular Biology, One Innovation Drive, Worcester, MA 01605, United States. Electronic address: npeet@comcast.net.
authors.forename: Norton P
authors.initials: NP
authors.lastname: Peet
mesh_terms: D000942:Antigens, Bacterial / Q000737:chemistry*; D001408:Bacillus anthracis / Q000254:growth & development*; D001427:Bacterial Toxins / Q000737:chemistry*; D006801:Humans; D008958:Models, Molecular
chemical_list: D000942:Antigens, Bacterial; D001427:Bacterial Toxins; C030325:anthrax toxin
keywords: Anthrax; Bacillus anthracis; Botulinum neurotoxin A; Desymmetrized; Hybrid compound; Lethal factor; Light chain; Matrix metalloprotease; Quinoline; Zinc metalloprotease