Title: Molecular modelling of botulinum neurotoxin serotype A metalloprotease inhibitors
Authors: Bing Li; Norton P. Peet; Terry L. Bowlin
Addresses: Microbiotix, Inc., One Innovation Drive, Worcester, MA 01605, USA. ' Microbiotix, Inc., One Innovation Drive, Worcester, MA 01605, USA. ' Microbiotix, Inc., One Innovation Drive, Worcester, MA 01605, USA
Abstract: Botulinum neurotoxins are the most potent neurotoxins known and are ranked by the CDC as category A bioterrorist agents. There is an urgent need to discover and develop small molecule inhibitors as countermeasures for botulinum neurotoxin intoxication. In this report, we summarise our molecular modelling results which contribute to the SAR development and binding site identification of small molecule inhibitors of BoNT/A metalloprotease.
Keywords: botulinum neurotoxins; BoNTs; molecular modelling; metalloprotease; BoNT inhibitors; botulism; bioterrorist agents; bioterrorism; binding sites.
The Botulinum Journal, 2012 Vol.2 No.2, pp.156 - 158
Published online: 30 Oct 2014 *
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