Electrochemical, spectroscopic, and theoretical studies on the interaction between azathioprine and DNA

Jalali, Fahimeh; Rasaee, Gelareh

doi:10.1016/j.ijbiomac.2015.08.025

Cited by 29 publications

(13 citation statements)

References 48 publications

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“…Hoechst 33258, a common minor groove binder, was used to investigate the binding mode between small molecules and DNA [35] . If costunolide binds to ct‐DNA in the same way as Hoechst 33258, they will compete for binding sites on the ct‐DNA, and the fluorescence intensity of Hoechst 33258‐ct‐DNA system will decrease.…”

Section: Resultsmentioning

confidence: 99%

“…This result indicated that costunolide might bind to minor groove of ct‐DNA [1,31] . To further explore the fluorescence quenching mechanism, Stern‐Volmer equation was used: [35]

true F_{0} / F = 1 + K_{q} τ_{0} [Q] = 1 + K_{s v} [Q]

…”

Section: Resultsmentioning

confidence: 99%

“…Binding constant and binding sites number were calculated according to the equation: [35]

true \log (F_{0} - F) / F = \log K_{b} + n \log [Q]

…”

Section: Resultsmentioning

confidence: 99%

“…The purity of ct‐DNA was detected by the ratio of the absorbance at 260 and 280 nm, and the value of A 260 /A 280 was 1.83, which revealed that it was sufficiently free from protein [34] . The concentration of ct‐DNA was 3.43×10 −3 mol/L [35] . Thiazolyl blue tetrazolium bromide (MTT) and dimethyl sulfoxide (DMSO) were purchased from Dingguo Changsheng Biotechnology Co., Ltd. (Beijing, China).…”

Section: Methodsmentioning

confidence: 99%

See 3 more Smart Citations

Exploring the Potential Mechanism of Costunolide‐Induced MCF‐7 Cells Apoptosis by Multi‐Spectroscopy, Molecular Docking and Cell Experiments

Liú

Zeng

et al. 2021

Chemistry & Biodiversity

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Breast cancer is one of the most common cancer with high morbidity and mortality in women. This study aimed to explore the potential mechanism of costunolide inducing MCF‐7 cells apoptosis by multi‐spectroscopy, molecular docking, and cell experiments. The results manifested that costunolide interacted with calf thymus DNA (ct‐DNA) in a spontaneous manner, and the minor groove as the preferential binding mode. Furthermore, costunolide inhibited cell proliferation and colony formation. Hoechst 33258 staining showed that cell apoptosis induced by costunolide might be related to DNA damage. The apoptosis mechanism relied on regulating the protein expression of Bax, Bcl‐2, p53, Caspase‐3 and the activation of p38MAPK and nuclear factor κB (NF‐κB) pathways. This study will provide some experimental basis and potential therapeutic strategy for breast cancer treatment.

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Section: Resultsmentioning

confidence: 99%

“…This result indicated that costunolide might bind to minor groove of ct‐DNA [1,31] . To further explore the fluorescence quenching mechanism, Stern‐Volmer equation was used: [35]

true F_{0} / F = 1 + K_{q} τ_{0} [Q] = 1 + K_{s v} [Q]

…”

Section: Resultsmentioning

confidence: 99%

“…Binding constant and binding sites number were calculated according to the equation: [35]

true \log (F_{0} - F) / F = \log K_{b} + n \log [Q]

…”

Section: Resultsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

See 2 more Smart Citations

Exploring the Potential Mechanism of Costunolide‐Induced MCF‐7 Cells Apoptosis by Multi‐Spectroscopy, Molecular Docking and Cell Experiments

Liú

Zeng

et al. 2021

Chemistry & Biodiversity

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“…Signs of ∆ H and ∆ S can reflect the binding mechanism between a small molecule and DNA: hydrophobic forces are dominant when ∆ H > 0 and ∆ S > 0; van der Waals interaction and hydrogen bonds are the main interactions contributing to the binding when ∆ H < 0 and ∆ S < 0; and electrostatic interactions are dominant when ∆ H < 0 and ∆ S > 0 eqn (5):

ln K_{a} = - \frac{ΔH}{RT} + \frac{ΔS}{R}

where K a is the binding constant at the corresponding temperature T , and R is the gas constant. As listed in Table , negative values of ∆ G and ∆ H and positive values of ∆ S were obtained, and this finding indicated that the binding of cephalosporin and DNA is a spontaneous process driven by both enthalpy and entropy, and electrostatic interactions are the main binding force . Combined with the previous docking results, electrostatic force and hydrogen bonds appear to play a leading role binding of DNA to the drug.…”

Section: Resultsmentioning

confidence: 99%

Comparative study of two cephalosporin antibiotics binding to calf thymus DNA by multispectroscopy, electrochemistry, and molecular docking

et al. 2019

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The over-use of antibiotics has caused a number of problems such as contamination of antibiotic residues and virus resistance, and therefore has attracted global attention. In this study, spectroscopic techniques and molecular docking were employed to predict conformational changes and binding interaction between two cephalosporins (cefaclor and cefixime) and calf thymus DNA (ctDNA). Fluorescence and UV-vis spectra suggested that static quenching was predominant and cephalosporin bound to the groove region of ctDNA. Binding parameters calculated by the Stern-Volmer and Scatchard equations showed that cephalosporin bound to ctDNA with a binding affinity in the order of 10 3 L mol −1 . Thermodynamic parameters further indicated that the reaction was a spontaneous process driven by enthalpy and entropy, and that the main binding force was an electrostatic force. The effects of iodide, denaturant, thermal denaturation and pH on a cephalosporin-Hoechst-DNA complex were also studied, and the results confirmed that cephalosporin bound to the groove area of DNA.Finally, these results were further confirmed by molecular docking and electrochemical studies.

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Intercalation of a flavonoid, silibinin into DNA base pairs: Experimental and theoretical approach

Pawar

Seetharamappa

2019

J of Molecular Recognition

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Polyphenols are secondary plant metabolites, which have received much attention because of their potential health benefits. Silibinin (SIL) is a well-known naturally occurring flavonolignan, which is extensively used in treating a wide variety of diseases as a dietary supplement as well as a prescribed drug. The mechanism of binding of SIL to calf thymus DNA (ctDNA) was investigated by employing multispectroscopic techniques, viz., absorption, fluorescence, and circular dichroism besides viscosity measurements and docking studies. Analysis of fluorescence results indicated that SIL has interacted with ctDNA and quenched its intensity through static quenching mechanism. The binding constant at room temperature was found to be 2.48×10 4 mol −1 , suggesting moderate binding affinity between SIL and ctDNA. The hypochromicity observed in the absorption spectra of ctDNA in the presence of SIL revealed the intercalation of SIL into ctDNA base pairs. Further, the intercalative mode of binding between SIL and ctDNA was confirmed by viscosity measurements and molecular docking studies. The outcome of present study helps to decipher the interaction mechanism between SIL and DNA at physiological pH, which further assists in the design of a new analogue for better therapeutic effects.

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Electrochemical, spectroscopic, and theoretical studies on the interaction between azathioprine and DNA

Cited by 29 publications

References 48 publications

Exploring the Potential Mechanism of Costunolide‐Induced MCF‐7 Cells Apoptosis by Multi‐Spectroscopy, Molecular Docking and Cell Experiments

Exploring the Potential Mechanism of Costunolide‐Induced MCF‐7 Cells Apoptosis by Multi‐Spectroscopy, Molecular Docking and Cell Experiments

Comparative study of two cephalosporin antibiotics binding to calf thymus DNA by multispectroscopy, electrochemistry, and molecular docking

Intercalation of a flavonoid, silibinin into DNA base pairs: Experimental and theoretical approach

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