학술논문

Experimental and Theoretical Investigations of Vibrational Spectrum and Biological Activity of Dichlorvos.
Document Type
Article
Source
AIP Conference Proceedings. 2020, Vol. 2220 Issue 1, p070007-1-070007-6. 6p. 2 Diagrams, 1 Chart, 2 Graphs.
Subject
*VIBRATIONAL spectra
*PHOSPHAMIDON
*DICHLORVOS
*INVESTIGATIONS
*RESONANCE
Language
ISSN
0094-243X
Abstract
The resonance in phosphate group plays a key role in inducing biological activity to many organophosphate compounds. Hence, the resonance in phosphate of dichlorvos (2,2 dichloro vinyl dimethyl phosphate or DDVP) has been explored in detail in addition to the vibrational features in dichloro vinyl group which are explained based on vibrational spectroscopy aided by DFT simulations. To investigate the interaction of dichlorvos with DNA and AChE, UV-Visible and fluorescence spectral titrations have been carried out for Dichlorvos-DNA and Dichlorvos-AChE complexes. These experimental results of interactions ere further investigated with the aid of docking simulation studies. The docking along with structural analysis reveal that nonbridging oxygen is responsible for binding. [ABSTRACT FROM AUTHOR]