3 research outputs found

    Voltametric and molecular docking investigations of ferrocenylmethylaniline and its N-acetylated derivative interacting with DNA

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    N-ferrocenylmethylaniline (FA) and its N-acetylated derivative (NFA) have been synthesized and fully characterized by various physicochemical techniques such as 1H and 13C NMR spectroscopy, their interactions with chicken blood DNA (CB-DNA) were studied by cyclic voltammetry (CV) and molecular docking (MD). The obtained results suggested that both FA and NFA bind strongly via electrostatic interactions to the minor groove of double helix DNA,  these electrostatic interactions were evidenced by the findings like a negative formal potential shift in CV and ionic strength effect. The results further show that the obtained binding constants and free binding energies by MD analysis are matched roughly to those obtained from CV. Furthermore, the binding site size was evaluated from voltametric data

    Electrochemical and UV-visible spectroscopic investigation of anthranilic acid interaction with DNA

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    The interaction between anthranilic acid (Aa) and DNA was studied by cyclic voltammetry and UV-visible spectroscopy. Cisplatin (Cis), a drug that is known to interact with DNA, was used as a reference. The electrochemical response showed that the anodic peak potential of Aa shifted downward by 35.1 mV (from 934.4 to 899.3 mV) in the presence of DNA (18 µM). The shift suggests the occurrence of electrostatic interactions between Aa and the DNA backbone. Binding constant (7.08×104 M⁻¹) and free energy (-26.85 kJ mol-1) for Aa-DNA were derived from suppressed anodic peak current density, while Cis was found to have stronger binding (19.49×10⁴ M⁻¹) under identical conditions. UV-visible spectroscopy confirmed hypochromicity at 324 nm for Aa, which is consistent with groove binding, while the distinct mechanism of Cis most likely involves covalent cross-linking. Larger binding site size of Aa (5.76 base pairs) and decreased diffusion coefficients compared with Cis smaller footprint (0.56 base pairs), pointed to differences in mechanisms. These results highlight anthranilic acid as a promising DNA-targeting agent with potential applications in antimicrobial and anticancer drug development, providing a comparative context with the well-established pharmacology of cisplatin

    Abstracts of 1st International Conference on Computational & Applied Physics

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    This book contains the abstracts of the papers presented at the International Conference on Computational & Applied Physics (ICCAP’2021) Organized by the Surfaces, Interfaces and Thin Films Laboratory (LASICOM), Department of Physics, Faculty of Science, University Saad Dahleb Blida 1, Algeria, held on 26–28 September 2021. The Conference had a variety of Plenary Lectures, Oral sessions, and E-Poster Presentations. Conference Title: 1st International Conference on Computational & Applied PhysicsConference Acronym: ICCAP’2021Conference Date: 26–28 September 2021Conference Location: Online (Virtual Conference)Conference Organizer: Surfaces, Interfaces, and Thin Films Laboratory (LASICOM), Department of Physics, Faculty of Science, University Saad Dahleb Blida 1, Algeria
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