Fungal bis-Naphthopyrones as Inhibitors of Botulinum Neurotoxin Serotype A
ARMY MEDICAL RESEARCH INST OF INFECTIOUS DISEASES FORT DETRICK MD INTEGRATED TOXICOLOGY DIVISION
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An in silico screen of the NIH Molecular Library Small Molecule Repository MLSMR of 350000 compounds and confirmatory bioassays led to identification of chaetochromin A 1 as an inhibitor of botulinum neurotoxin serotype A BoNT A. Subsequent acquisition and testing of analogues of 1 uncovered two compounds, talaroderxines A 2 and B 3, with improved activity. These are the first fungal metabolites reported to exhibit BoNTA inhibitory activity.