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.

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Document Details

Document Type
Technical Report
Publication Date
Apr 02, 2012
Accession Number
ADA571133

Entities

People

  • Anders Wallqvist
  • Ashish G. Soman
  • Biren K. Joshi
  • Donald T. Wicklow
  • Gregory J. Tawa
  • Ilja Khavrutskii
  • James B. Gloer
  • John H. Cardellina Ii
  • Leonard A. Smith
  • Nisarga L. Phatak
  • Sara M. Hein
  • Ulrich Hoeller
  • Vanessa Eccard
  • Vicki Montgomery
  • Virginia I. Roxas-duncan
  • Xin Hu
  • Yvette Campbell

Organizations

  • United States Army Medical Research Institute of Infectious Diseases

Tags

Communities of Interest

  • Biomedical

DTIC Thesaurus Topics

  • Acquisition
  • Antifungal Agents
  • Application Software
  • Assays
  • Biological Products
  • Chemistry
  • Computer Programs
  • Energy
  • Free Energy
  • Fungi
  • Inhibitors
  • Metabolites
  • Molecules
  • Mycology
  • Neurotoxins
  • Small Molecules
  • Storage

Readers

  • Clinical Trial Research.
  • Microbial Pathology
  • Molecular and Cellular Biochemistry