Fungal bis-Naphthopyrones as Inhibitors of Botulinum Neurotoxin Serotype A.

ABSTRACT: 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 BoNT/A inhibitory activity.

SUBMITTER: Cardellina JH 

PROVIDER: S-EPMC4025784 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature