title: Evaluation and binding-mode prediction of thiopyrone-based inhibitors of anthrax lethal factor.
authors.affiliation: Department of Chemistry and Biochemistry, University of California, San Diego, 9500 Gilman Drive, La Jolla, CA 92093-0358, USA.
authors.forename: Jana A
authors.initials: JA
authors.lastname: Lewis
authors.forename: John
authors.initials: J
authors.lastname: Mongan
authors.forename: J Andrew
authors.initials: JA
authors.lastname: McCammon
authors.forename: Seth M
authors.initials: SM
authors.lastname: Cohen
mesh_terms: D000900:Anti-Bacterial Agents / Q000737:chemistry* / Q000494:pharmacology*; D000942:Antigens, Bacterial; D001408:Bacillus anthracis / Q000187:drug effects*; D001427:Bacterial Toxins / Q000037:antagonists & inhibitors*; D001665:Binding Sites; D015394:Molecular Structure; D011753:Pyrones / Q000737:chemistry* / Q000494:pharmacology*; D013438:Sulfhydryl Compounds / Q000737:chemistry* / Q000494:pharmacology*
chemical_list: C513584:AM-2S compound; D000900:Anti-Bacterial Agents; D000942:Antigens, Bacterial; D001427:Bacterial Toxins; D011753:Pyrones; D013438:Sulfhydryl Compounds; C030325:anthrax toxin