Deciphering the mechanism of interaction of edifenphos with calf thymus DNA

Ahmad, A and Ahmad, M. (2018) Deciphering the mechanism of interaction of edifenphos with calf thymus DNA. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 188. pp. 244-251. ISSN 13861425

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Official URL: http://www.sciencedirect.com/science/article/pii/S...

Abstract

Edifenphos is an important organophosphate pesticide with many antifungal and anti-insecticidal properties but it may cause potential hazards to human health. In this work, we have tried to explore the binding mode of action and mechanism of edifenphos to calf thymus DNA (CT-DNA). Several experiments such as ultraviolet-visible absorption spectra and emission spectroscopy showed complex formation between edifenphos and CT-DNA and low binding constant values supporting groove binding mode. These results were further confirmed by circular dichroism (CD), CT-DNA melting studies, viscosity measurements, density functional theory and molecular docking. CD study suggests that edifenphos does not alter native structure of CT-DNA. Isothermal calorimetry reveals that binding of edifenphos with CT-DNA is enthalpy driven process. Competitive binding assay and effect of ionic strength showed that edifenphos binds to CT-DNA via groove binding manner. Hence, edifenphos is a minor groove binder preferably interacting with A-T regions with docking score − 6.84 kJ/mol. © 2017

Item Type: Article
Uncontrolled Keywords: DNA interaction; Edifenphos; Isothermal calorimetry; Molecular docking; Pesticide; Spectrophotometry
Divisions: Faculties > Faculty of Life Sciences > Department of Biochemistry
Depositing User: AMU Library
Date Deposited: 18 Jan 2018 11:18
Last Modified: 18 Jan 2018 11:18
URI: http://ir.amu.ac.in/id/eprint/10803

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