A novel Cu(II)-based DNA-intercalating agent: Structural and biological insights using biophysical and in silico techniques

0570899 - FZÚ 2024 RIV NL eng J - Journal Article
Movahedi, E. - Razmazma, H. - Rezvani, A.R. - Nowroozi, A. - Ebrahimi, A. - Eigner, Václav - Dušek, Michal - Arjmand, F.
A novel Cu(II)-based DNA-intercalating agent: Structural and biological insights using biophysical and in silico techniques.
Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy. Roč. 293, May (2023), č. článku 122438. ISSN 1386-1425. E-ISSN 1873-3557
R&D Projects: GA ČR(CZ) GA18-10504S; GA MŠMT LM2018110
Institutional support: RVO:68378271
Keywords : Copper(II) complex * DNA binding profile * cytotoxicity * DFT * QM/MM * molecular docking simulations
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 4.4, year: 2022
Method of publishing: Limited access
https://doi.org/10.1016/j.saa.2023.122438

A new mixed-ligand Cu(II) complex formulated as [Cu(dipic)(amp)(H2O)].H2O (dipic: pyridine-2,6-dicarboxylic acid, amp: 2-amino-4-methylpyridine), was synthesized and structurally characterized by FTIR spectroscopy, CHN analysis, and the single-crystal X-ray crystallographic method. In order to systematically explore a detailed in vitro and in silico study of the DNA binding of the title complex, various biophysical (UV–Vis absorption spectroscopy, fluorescence, competitive binding with ethidium bromide) and theoretical (DFT, molecular docking simulation, and QM/MM) methods were applied.
Permanent Link: https://hdl.handle.net/11104/0342230