Biophysical aspects of cyclodextrin interaction with paraoxon

Magn Reson Chem. 2014 Mar;52(3):111-4. doi: 10.1002/mrc.4036. Epub 2013 Dec 19.

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 K(av) of 6775 M(-1). Molecular modeling shows that the paraoxon appears to bind in polar opposite orientation and have an average binding energy of -89 Kcals/mol. Published 2013. This article is a U.S. Government work and is in the public domain in the USA.

Keywords: 1H; Benesi-Hildebrand plot; Jobs plot; NMR; cyclodextrins; molecular model; organophosphate oxon; paraoxon; pesticide.

Publication types

  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Cyclodextrins / chemistry*
  • Magnetic Resonance Spectroscopy / standards
  • Models, Molecular
  • Molecular Structure
  • Paraoxon / chemistry*
  • Reference Standards

Substances

  • Cyclodextrins
  • Paraoxon