Exploration of intermolecular interaction of calf thymus DNA with sulfosulfuron using multi-spectroscopic and molecular docking techniques

Shi, Jie‐Hua; Lou, Yan‐Yue; Zhou, Kai; Pan, Dong-Qi

doi:10.1016/j.saa.2018.06.054

Cited by 43 publications

(25 citation statements)

References 37 publications

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“…(D)). For the sake of clarifying the competitive replacement, the replacement rate ( θ ) was calculated according to the following equation:

θ = \frac{F_{0} - F}{F_{0} - F_{1}} \times 100 %

where F 0 , F and F 1 are the fluorescence intensity of H33258/EB–ctDNA system, the fluorescence intensity of H33258/EB–ctDNA system in the presence of different 5‐HMF solutions and the fluorescence intensity of H33258/EB alone, respectively. As shown in Fig.…”

Section: Resultsmentioning

confidence: 99%

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Exploring the binding interaction of Maillard reaction by‐product 5‐hydroxymethyl‐2‐furaldehyde with calf thymus DNA

Zhou

Zhang

et al. 2019

J Sci Food Agric

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BACKGROUND 5‐Hydroxymethyl‐2‐furaldehyde (5‐HMF), a by‐product of the Maillard reaction, usually present in fried and baked food, may cause potential harm to the human body. Here, the interaction between 5‐HMF and calf thymus DNA (ctDNA) under physiological buffer (pH 7.4) was studied using multi‐spectroscopic methods combined with multivariate curve resolution–alternating least squares (MCR‐ALS) chemometrics and molecular simulation techniques. RESULTS The concentration profiles and pure spectra of the three components (5‐HMF, ctDNA and 5‐HMF–ctDNA complex) were extracted from highly overlapping spectra using MCR‐ALS analysis, which verified the formation of 5‐HMF–ctDNA complex. The binding constant being of the order of 103 L mol−1 at four temperatures (292, 298, 304 and 310 K) indicated a weak affinity in the binding of 5‐HMF to ctDNA. The binding interaction was mainly driven by hydrogen bonds and van der Waals forces. Viscosity analysis, melting assay, ionic strength effect and competitive fluorescence studies ascertained that 5‐HMF bound to ctDNA through groove binding, and it tended to bind to guanine–cytosine rich region of ctDNA which was characterized using Fourier transform infrared spectra and molecular docking. Circular dichroism spectral analysis and DNA cleavage assays indicated that the ctDNA conformation was altered from B to A form and 5‐HMF caused DNA damage at higher concentration. CONCLUSIONS The results suggested that 5‐HMF bound to ctDNA through groove binding and caused DNA damage. This research may contribute to understand the binding mechanism of 5‐HMF to ctDNA and to the assessment of the toxicological effect of 5‐HMF in biological processes. © 2018 Society of Chemical Industry

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“…(D)). For the sake of clarifying the competitive replacement, the replacement rate ( θ ) was calculated according to the following equation:

θ = \frac{F_{0} - F}{F_{0} - F_{1}} \times 100 %

Section: Resultsmentioning

confidence: 99%

“…4(D)). For the sake of clarifying the competitive replacement, the replacement rate ( ) was calculated according to the following equation: 47,49,50…”

Section: Competitive Fluorescence Displacement Studiesmentioning

confidence: 99%

Exploring the binding interaction of Maillard reaction by‐product 5‐hydroxymethyl‐2‐furaldehyde with calf thymus DNA

Zhou

Zhang

et al. 2019

J Sci Food Agric

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“…Moreover, the signicant variation in E a values indicated a complex kinetics stimulated decomposition process, the non-linear relationship between E a and a provided collected via both models indicated that the ligand is prospective to be decomposed via more than one steps reaction (n > 1) and not through one broad step as thermal analysis reected. [37][38][39] Therefore, Avrami kinetic equation 39 was applied at xed suitable temperature 160 C and in a ¼ 0.1-0.9 range to support the complexity (multi-step) of thiophene-2-carbohydrazide thermal degradation reaction as in eqn (11).…”

Section: Thermal and Isoconversional Kinetics Analysis Via Fwo And Ksamentioning

confidence: 99%

Synthesis and amide imidic prototropic tautomerization in thiophene-2-carbohydrazide: XRD, DFT/HSA-computation, DNA-docking, TG and isoconversional kineticsviaFWO and KAS models

et al. 2020

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“…DNA is one of the most significant biological biomacromolecules in its function as a genetic information carrier, DNA performs some important physiological functions such as participation in human activities, translation and expression of the genes, synthesis of protein and the cell regeneration and death . As a vital biological target in the life activities, DNA often binds to small molecules such as metals or organic dyes, as well as therapeutic drugs .…”

Section: Introductionmentioning

confidence: 99%

Depicting the binding of furazolidone/furacilin with DNA by multiple spectroscopies, voltammetric as well as molecular docking

Sun

et al. 2019

Luminescence

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The interaction between DNA and furazolidone/furacillin was investigated using various analytical techniques including spectroscopy and electroanalysis and molecular modelling. With the aid of acridine orange (AO), the fluorescence lifetimes of DNA-AO, DNA-furazolidone/furacillin-AO remained almost the same, which proved that the ground state complex was formed due to furazolidone/furacillin binding with DNA. Circular dichroism spectra and Fourier transform infrared spectroscopy showed that the second structure of DNA changed. Viscosity experiments presented that relative viscosity of DNA was increased with the increasing concentrations of furazolidone and almost unchanged for furacilin. In addition, the results of melting temperature (T m ), ionic strength, site competition experiments, cyclic voltammetry, and molecular docking all proved the intercalation binding mode for furazolidone and groove binding mode for furacilin. The binding constants (K a ) obtained from Wolfe-Shimmer equation were calculated as 3.66 × 10 4 L mol −1 and 3.95 × 10 4 L mol −1 for furazolidone-DNA and furacilin-DNA, respectively.

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Exploration of intermolecular interaction of calf thymus DNA with sulfosulfuron using multi-spectroscopic and molecular docking techniques

Cited by 43 publications

References 37 publications

Exploring the binding interaction of Maillard reaction by‐product 5‐hydroxymethyl‐2‐furaldehyde with calf thymus DNA

Exploring the binding interaction of Maillard reaction by‐product 5‐hydroxymethyl‐2‐furaldehyde with calf thymus DNA

Synthesis and amide imidic prototropic tautomerization in thiophene-2-carbohydrazide: XRD, DFT/HSA-computation, DNA-docking, TG and isoconversional kineticsviaFWO and KAS models

Depicting the binding of furazolidone/furacilin with DNA by multiple spectroscopies, voltammetric as well as molecular docking

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