Study on the interaction of the drug mesalamine with calf thymus DNA using molecular docking and spectroscopic techniques

Shahabadi, Nahid; Fili, Soraya Moradi; Kheirdoosh, Fahimeh

doi:10.1016/j.jphotobiol.2013.08.005

Cited by 94 publications

(30 citation statements)

References 28 publications

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“…The data revealed that the quenching mechanism is probably initiated by ground-state complex formation (static quenching) in preference to dynamic collision [63][64][65]. Since in collisional quenching only the excited states of the fluorophores are affected, no changes in the absorption spectra were observed.…”

Section: Steady-state Fluorescence Spectroscopy Studymentioning

confidence: 93%

Spectral-luminescent properties of pH-sensitive azo fluorophore in complexes with quaternary ammonium disinfectants

et al. 2015

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Azo-based organic molecules offer broad-spectrum chemical and biological applications with excellent conjugated features. The present work reports the molecular chemical stability and relative polarity of potent azo compound, 2-amino-5-[(E)-(4-hydroxyphenyl)diazenyl]benzoic acid (AHABA), as well as its interaction mechanism with quaternary ammonium surfactants (Quats) at various pH conditions. The photoluminescent properties of yellow fluorophore, AHABA, in complexes with cetrimonium bromide (CTAB) and mecetronium bromide (EHDAB) were probed by quantifying its absorption and fluorescence emission spectra as a function of various concentrations of microheterogeneous assemblies. With the help of mathematical models, the stated interactions of combinational systems (AHABA-Quats) were quantified by estimating the partition coefficient (K x ), the binding capacities (K b ), Stern-Volmer quenching constant (K sv ), and related free energies. The detailed investigation revealed that the binding and partition modes are spontaneous and the quenching mechanism is ascribed to the static quenching mode initiated by ground-state complex formation. Moreover, the results of molecular electrostatic potential (MEP) revealed that the hydrophilic character as well as the electrophilic attack on the subjected azo molecule increases as the pH of the medium increases. These findings extend the proficiency of subjected emitting fluorophore as a reporter for sensing electrostatic environment in lipidic membranes and related organized assemblies.

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Section: Steady-state Fluorescence Spectroscopy Studymentioning

confidence: 93%

Spectral-luminescent properties of pH-sensitive azo fluorophore in complexes with quaternary ammonium disinfectants

et al. 2015

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“…Molecular docking technique is an attractive scaffold to understand the Drug-DNA interactions for the rational drug design and discovery, as well as in the mechanistic study by placing a small molecule into the binding site of the target specific region of the DNA mainly in a non-covalent fashion [41,42].…”

Section: Molecular Dockingmentioning

confidence: 99%

Report of Interaction Between Calf Thymus DNA and Pyrimidine-Annulated Spiro-Dihydrofuran

Roy¹,

Ganai²

2016

Biochem Anal Biochem

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The study of binding interaction between pyrimidine-annulated spiro-dihydrofuran (PSDF) with calf thymus DNA (CTDNA) using UV absorption, fluorescence, circular dichroism (CD), and molecular docking methods. The experimental results revealed that PSDF preferred to bind to the groove of CTDNA with the binding constant (K) of 1.51×10 2 L/mol at 293 K. Based on the signs and magnitudes of the enthalpy change (ΔH = -33.25 kJ/mol) and entropy change (ΔS= -71.58 J/mol/K) in the binding process it can be concluded that the main interaction forces between PSDF and CTDNA in the binding process were van der Waals force and hydrogen bonding interaction. The results of CD experiments revealed that PSDF did not disturb native conformation of CTDNA and the significant binding of PSDF in PSDF-CTDNA complex was observed from the molecular docking results.

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“…In recent years, the interaction mechanism of deoxyribonucleic acid (DNA) with small molecules has been the subject of extensive study, especially in interaction with drugs [1][2][3][4][5], chemical composition of plant extracts [6] and coordination compound [7]. When investigating the binding of a drug to DNA, one initial goal is to probe its binding mode to DNA.…”

Section: Introductionmentioning

confidence: 99%

Binding studies of terbutaline sulfate to calf thymus DNA using multispectroscopic and molecular docking techniques

Zhao

Wang

et al. 2015

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

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Study on the interaction of the drug mesalamine with calf thymus DNA using molecular docking and spectroscopic techniques

Cited by 94 publications

References 28 publications

Spectral-luminescent properties of pH-sensitive azo fluorophore in complexes with quaternary ammonium disinfectants

Spectral-luminescent properties of pH-sensitive azo fluorophore in complexes with quaternary ammonium disinfectants

Report of Interaction Between Calf Thymus DNA and Pyrimidine-Annulated Spiro-Dihydrofuran

Binding studies of terbutaline sulfate to calf thymus DNA using multispectroscopic and molecular docking techniques

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