Biophysical Aspects of Cyclodextrin Interaction with Paraoxon

Abstract

Cyclodextrins are torus-shaped polymers of glucose that can bind organophosphorous compounds such as nerve agents and pesticides.We demonstrate here that cyclodextrin can bind up to two paraoxon molecules with a Kav of 6775M-1. Molecular modeling shows that the paraoxon appears to bind in polar opposite orientation and have an average binding energy of -89 Kcals/mol.

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Document Details

Document Type
Technical Report
Publication Date
Dec 19, 2013
Accession Number
ADA607520

Entities

People

  • Gregory E. Garcia
  • Jayendra B. Bhonsle
  • Sunil-datta Soni

Organizations

  • United States Army Medical Research Institute of Chemical Defense

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Algorithms
  • Chemical Compounds
  • Chemical Shifts
  • Chemistry
  • Data Sets
  • Department Of Defense
  • Genetic Algorithms
  • Governments
  • Macrocyclic Compounds
  • Magnetic Resonance
  • Molecules
  • Nerve Agents
  • Pesticides
  • Regression Analysis
  • Resonance
  • Standards
  • Statistical Analysis

Fields of Study

  • Chemistry

Readers

  • Molecular and Cellular Biochemistry
  • Neurotoxicology
  • Quantum Chemistry

Technology Areas

  • Biotechnology