Structural Studies on Intact Clostridium botulinum Neurotoxins Complexed with Inhibitors Leading to Drug Design

Abstract

This is an annual report in no cost extension period. In this period we have identified several compounds via virtual screening. These compounds include small molecules ? transition state analogues and benzimidazoles. Since there is a commonality in the active site architecture, we have developed a strategy to identify inhibitors that will act on more than one serotype. Most importantly, we have determined the structure of botulinum neurotoxin type E which shows a different domain organization than either BoNT/A or B.

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Document Details

Document Type
Technical Report
Publication Date
Feb 01, 2009
Accession Number
ADA504608

Entities

People

  • Subramanyam Swaminathan

Organizations

  • Brookhaven National Laboratory

Tags

Communities of Interest

  • Biomedical

DTIC Thesaurus Topics

  • Abstracts
  • Analogs
  • Benzimidazoles
  • Biomedical Research
  • Clostridium
  • Crystal Structure
  • Crystallography
  • Crystals
  • Department Of Defense
  • Electronic Mail
  • Inhibitors
  • Molecules
  • Neurotoxins
  • Small Molecules
  • Three Dimensional
  • Toxins
  • Transitions

Readers

  • Microbial Pathology
  • Molecular and Cellular Biochemistry
  • Technical Research and Report Writing.