Deciphering the groove binding modes of tau-fluvalinate and flumethrin with calf thymus DNA

Tao, Mo; Zhang, Guowen; Pan, Junhui; Xiong, Chunhong

doi:10.1016/j.saa.2015.11.006

Cited by 43 publications

(18 citation statements)

References 57 publications

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“…Moreover, the binding of both aflatoxins to DNA could induce an increase in the right-handed helicity of DNA, but the B-DNA conformation was not destroyed [ 50 ]. This might be because AFB1/AFG1 bound in the minor groove region of DNA, making the double-helix structure of DNA to become loose [ 51 ]. Although a different effect on the intensity of CD spectra of DNA was noted with the binding of two aflatoxins, the same positive cotton effect on the AFB1–DNA and AFG1–DNA system was noted.…”

Section: Resultsmentioning

confidence: 99%

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

Wang

Zhang

2017

Toxins

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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.

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Section: Resultsmentioning

confidence: 99%

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

Wang

Zhang

2017

Toxins

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“…Iodide ion quenching experiments further provide great help in deducing the binding interaction of a drug with DNA. 33 Iodide ions are well known fluorescence quenchers for small fluorescent molecules. Being negatively charged, these ions can effectively quench the fluorescence of small molecules in an aqueous medium.…”

Section: Iodide Quenching Studiesmentioning

confidence: 99%

“…The electrostatic and groove binders provide much less protection for the fluorophore as they are exposed to the external environment and are comparatively approachable for iodide ions as compared to intercalators even in the presence of DNA. 33 The relative accessibility of small molecules to anionic quencher in the presence of DNA and in free solution was studied by calculating K sv using Stern-Volmer eqn (2). Fig.…”

Section: Iodide Quenching Studiesmentioning

confidence: 99%

Interaction of indomethacin with calf thymus DNA: a multi-spectroscopic, thermodynamic and molecular modelling approach

et al. 2017

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Indomethacin belongs to the acetic acid derivative class of non-steroidal anti-inflammatory drugs with diverse pharmacological and biological activities. Understanding the mechanism of interaction of drugs with possible target and off-target biomolecules can prove useful in the development of a rational drug designing system. In this paper, we have attempted to ascertain the mode of binding of indomethacin with calf thymus DNA (Ct-DNA) through various biophysical techniques and molecular docking. Analysis of the UV-visible absorbance spectra and fluorescence emission profile of indomethacin upon addition of Ct-DNA indicates the formation of a drug-DNA complex. UV-visible absorbance and steady state fluorescence experiments revealed a binding constant on the order of 10 L mol, which is consistent with those of well-known groove binders. Competitive displacement studies with ethidium bromide, acridine orange and Hoechst 33258 further suggested that indomethacin binds to the minor groove of the Ct-DNA. The above observations were further confirmed by KI induced quenching experiments, DNA melting studies, CD spectral analysis and viscosity measurements. The thermodynamic parameters like spontaneous free energy (Δ < 0) and large favourable enthalpy (Δ < 0) obtained from isothermal calorimetry indicated the involvement of hydrogen bonding and van der Waals forces in the binding process. Molecular docking further corroborated the experimental results.

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“…As shown in Figure 8, EB can produce an intense fluorescence emission in the presence of ct-DNA and the fluorescence emission intensity will be quenched if there is a molecule replacing it [59][60][61].…”

Section: Competitive Displacement Assaymentioning

confidence: 99%

“…Viscosity of DNA is sensitive to length change of the double helix [59][60][61]. The lengthening of the DNA helix by separating base pairs to accomodate the compound causes an increase in DNA viscosity for classic intercalative binding mode.…”

Section: 7viscosity Measurementsmentioning

confidence: 99%

Studies of the binding mode of TXNHCH 2 COOH with calf thymus DNA by spectroscopic methods

Ataci

Arsu

2016

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

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Deciphering the groove binding modes of tau-fluvalinate and flumethrin with calf thymus DNA

Cited by 43 publications

References 57 publications

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

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

Interaction of indomethacin with calf thymus DNA: a multi-spectroscopic, thermodynamic and molecular modelling approach

Studies of the binding mode of TXNHCH 2 COOH with calf thymus DNA by spectroscopic methods

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