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Toxins 2017, 9(7), 209;

Probing the Characterization of the Interaction of Aflatoxins B1 and G1 with Calf Thymus DNA In Vitro

†,* ,
College of Food Science, Southwest University, Beibei District, Chongqing 400715, China
These authors contributed equally to this work.
Author to whom correspondence should be addressed.
Academic Editor: Annie Pfohl-Leszkowicz
Received: 19 April 2017 / Revised: 20 June 2017 / Accepted: 28 June 2017 / Published: 1 July 2017
(This article belongs to the Collection Aflatoxins)
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The binding characterization of aflatoxins with calf thymus DNA (ctDNA) under physiological conditions was investigated. Multispectroscopic techniques, ctDNA melting, viscosity measurements, and molecular docking techniques were employed to elucidate the binding mechanism of the aflatoxins with DNA. The fluorescence results indicated that both aflatoxin B1 (AFB1) and aflatoxin G1 (AFG1) bound to the ctDNA, forming complexes through hydrogen bonding. The binding constants of AFB1 and AFG1 with ctDNA reached up to 103 L·mol−1 and 104 L·mol−1, respectively, and AFG1 exhibited a higher binding propensity than that of AFB1. Furthermore, both AFB1 and AFG1 bound to the ctDNA through groove binding, as evidenced by the results of the spectroscopic, iodide quenching effect, viscosity, and ctDNA melting measurements. Changes in the circular dichroism signal manifested that both AFB1 and AFG1 induced an increase in the right-handed helicity, but only minimally influenced the base stacking of the DNA. A molecular docking study of the aflatoxin’s binding with the DNA revealed a groove binding mode, which was driven mainly by hydrogen bonding. This study of aflatoxin–ctDNA interaction may provide novel insights into the toxicological effect of the mycotoxins. View Full-Text
Keywords: aflatoxins; interaction; binding mode; molecular modelling aflatoxins; interaction; binding mode; molecular modelling

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Ma, L.; Wang, J.; Zhang, Y. Probing the Characterization of the Interaction of Aflatoxins B1 and G1 with Calf Thymus DNA In Vitro. Toxins 2017, 9, 209.

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