Documents in the NTIS Technical Reports collection are the results of federally funded research. They are directly submitted to or collected by NTIS from Federal agencies for permanent accessibility to industry, academia and the public.  Before purchasing from NTIS, you may want to check for free access from (1) the issuing organization's website; (2) the U.S. Government Printing Office's Federal Digital System website http://www.gpo.gov/fdsys; (3) the federal government Internet portal USA.gov; or (4) a web search conducted using a commercial search engine such as http://www.google.com.
Accession Number ADA571133
Title Fungal bis-Naphthopyrones as Inhibitors of Botulinum Neurotoxin Serotype A.
Publication Date Apr 2012
Media Count 6p
Personal Author J. H. Cardellina V. Eccard V. Montgomery V. I. Roxas-Duncan Y. Campbell
Abstract An in silico screen of the NIH Molecular Library Small Molecule Repository (MLSMR) of approximately 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.
Keywords Binding free energy
Bioassay
Bonts(Botulinum neurotoxins)
Botulinum neurotoxin serotype a
Chaetochromin
Clostridium botulinum
Comparative testing
Free energy
Fungal metabolites
Fungi
In silico screens
Inhibitors
Ligands
Metabolites
Mlsmr(Molecular library small molecule repository)
Natural products
Neurotoxins
Talaroderxine
Thermodynamic integration
Thermodynamic properties


 
Source Agency Non Paid ADAS
NTIS Subject Category 57B - Biochemistry
57K - Microbiology
57Q - Pharmacology & Pharmacological Chemistry
Corporate Author Army Medical Research Inst. of Infectious Diseases, Fort Detrick, MD. Integrated Toxicology Div.
Document Type Journal article
Title Note Journal article.
NTIS Issue Number 1315
Contract Number N/A

Science and Technology Highlights

See a sampling of the latest scientific, technical and engineering information from NTIS in the NTIS Technical Reports Newsletter

Acrobat Reader Mobile    Acrobat Reader