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Quantitative study on a simple electrochemical dsDNA-pregabalin biosensor; multi-spectroscopic, molecular docking and modelling studies.
J Pharm Biomed Anal
September 2024
Istanbul Technical University, Faculty of Sciences and Letters, Department of Chemistry, Istanbul, Turkiye. Electronic address:
Pregabalin (PGB) is a γ-aminobutyric acid (GABA) alkylated analog prescribed to treat neuropathic pain, fibromyalgia, and postherpetic neuralgia. Using analytical, spectroscopic methods and molecular docking and molecular dynamics (MD) simulations, a detailed experimental and theoretical investigation was conducted into the binding process and interactions between PGB and double-stranded fish sperm deoxyribonucleic acid (dsDNA). It was evident from the collected experimental results that PGB binds with ds-DNA.
View Article and Find Full Text PDFMulti-spectroscopic study of electrochemically-formed oxide-derived gold electrodes.
Phys Chem Chem Phys
January 2024
Department of Physics, AlbaNova University Center, Stockholm University, 10691 Stockholm, Sweden.
Oxide-derived metals are produced by reducing an oxide precursor. These materials, including gold, have shown improved catalytic performance over many native metals. The origin of this improvement for gold is not yet understood.
View Article and Find Full Text PDFDeciphering the mechanism and binding interactions of Pemetrexed with dsDNA with DNA-targeted chemotherapeutics via spectroscopic, analytical, and simulation studies.
J Pharm Biomed Anal
February 2022
Department of Chemistry, Faculty of Arts and Sciences, Istanbul Technical University, Maslak, Istanbul 34469, Turkey. Electronic address:
Pemetrexed is a well-known and widely used antineoplastic drug under the category of cytotoxic, folate anti-metabolites that is used in chemotherapeutic treatments, especially in malignant mesothelioma and non-small cell lung carcinoma. Here, the binding mechanism and interactions of Pemetrexed with double strain fish sperm deoxyribonucleic acid (dsDNA) were studied thoroughly both experimentally and theoretically, using multi-spectroscopic techniques and molecular docking simulations. Our ultimate goal is to understand better the potential of such antineoplastic drugs and, hence, to design drugs with high dsDNA binding affinities and fewer adverse effects.
View Article and Find Full Text PDFMulti-spectroscopic, voltammetric and molecular docking studies on binding of anti-diabetic drug rosigiltazone with DNA.
Spectrochim Acta A Mol Biomol Spectrosc
June 2020
Department of Chemistry, Gandhigram Rural Institute (Deemed to be University), Gandhigram 624302, India. Electronic address:
The binding of an anti-diabetic drug rosiglitazone (RG) with calf-thymus DNA (CT-DNA) in physiological buffer (pH 7.4) has been investigated using various spectral techniques such as UV-Vis, fluorescence, H NMR and circular dichroism (CD) coupled with viscosity measurement and molecular docking studies. The binding of RG with CT-DNA results in small hypochromism without any change in absorption maximum and fluorescence quenching with hardly any shifts in emission maximum suggesting groove binding mode of interaction.
View Article and Find Full Text PDFHard X-ray spectroscopy: an exhaustive toolbox for mechanistic studies (?).
Faraday Discuss
December 2019
Paderborn University, Department of Chemistry, Warburger Str. 100, 33098 Paderborn, Germany.
Established and recent hard X-ray spectroscopic methods in the form of conventional X-ray absorption near edge structure spectroscopy (XANES) and extended X-ray absorption fine structure spectroscopy (EXAFS), and the photon-in/photon-out techniques high energy resolution fluorescence detection XANES and valence-to-core X-ray emission spectroscopy (VtC-XES) provide unique opportunities to study mechanisms in metal-organic reactions. The combination of these techniques allows the determination of the local geometric and electronic structures in the form of the numbers of nearest neighbours, their types and distances around an X-ray absorbing atom and the highest occupied and lowest unoccupied molecular levels. Different sample cells for this purpose, which allow high pressure, electrochemical or multi-spectroscopic measurements under inert conditions, are presented and discussed.
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