title: 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 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.
authors.affiliation: Physiology and Immunology, USAMRICD, Aberdeen Proving Ground, MD, USA.
authors.forename: Sunil-Datta
authors.initials: SD
authors.lastname: Soni
authors.forename: Jayendra B
authors.initials: JB
authors.lastname: Bhonsle
authors.forename: Gregory E
authors.initials: GE
authors.lastname: Garcia
mesh_terms: D003505:Cyclodextrins / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy / Q000592:standards; D008958:Models, Molecular; D015394:Molecular Structure; D010261:Paraoxon / Q000737:chemistry*; D012015:Reference Standards
chemical_list: D003505:Cyclodextrins; D010261:Paraoxon
keywords: 1H; Benesi-Hildebrand plot; Jobs plot; NMR; cyclodextrins; molecular model; organophosphate oxon; paraoxon; pesticide