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. We have determined the crystal structure of BoNT/E with the substrate tetra peptide containing the scissile bond.

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Document Details

Document Type
Technical Report
Publication Date
Feb 01, 2008
Accession Number
ADA482572

Entities

People

  • Subramanyam Swaminathan

Organizations

  • Brookhaven National Laboratory

Tags

Communities of Interest

  • Biomedical

DTIC Thesaurus Topics

  • Analogs
  • Benzimidazoles
  • Biomedical Research
  • Chemical Compounds
  • Clostridium
  • Crystal Structure
  • Crystals
  • High Resolution
  • Inhibitors
  • Lead Compounds
  • Molecules
  • Neurotoxins
  • Small Molecules
  • Substrates
  • Toxins
  • Transitions

Fields of Study

  • Chemistry

Readers

  • Microbial Pathology
  • Molecular and Cellular Biochemistry