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 - Článek v odborném periodiku
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
Grant CEP: GA ČR(CZ) GA18-10504S; GA MŠMT LM2018110
Institucionální podpora: RVO:68378271
Klíčová slova: Copper(II) complex * DNA binding profile * cytotoxicity * DFT * QM/MM * molecular docking simulations
Obor OECD: Condensed matter physics (including formerly solid state physics, supercond.)
Impakt faktor: 4.4, rok: 2022
Způsob publikování: Omezený přístup
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.
Trvalý link: https://hdl.handle.net/11104/0342230