Synthesis, structural, equilibrium, anticancer, DNA binding, and computational investigation of binary and ternary palladium(II) complexes based on N-(2-hydroxyethyl)ethylenediamine

Ragab MS, Shoukry MM, El-Madany HM, Haukka M, van Eldik R, Khalf-Alla PA (2025)

Publication Type: Journal article

Publication year: 2025

Journal

Journal of Coordination Chemistry Taylor & Francis

DOI: 10.1080/00958972.2025.2456219

Abstract

Novel palladium complexes, [Pd(hydten)Cl2] (1) and [Pd(hydten)ox] (2), where hydten = N-(2-hydroxyethyl)ethylenediamine and ox = oxalate, were synthesized. The structure is confirmed using X-ray crystallography for (1) and different physicochemical techniques. A comprehensive analysis was conducted to investigate the composition, stability constants, and speciation curves of [Pd(hydten)(H2O)2]2+ complexes with some bio-ligands such as amino acids, peptides, and DNA constituents. This analysis aims to gain a deeper understanding of the distribution of different species in physiological environments. The interaction with DNA, one of the primary targets for chemotherapeutic drugs, was validated using the UV-Vis spectroscopic technique combined with molecular docking analysis. The geometrical optimization of each compound was performed by density functional theory (DFT), with the complete allocation of HOMO/LUMO electron clouds. In vitro, bio-evaluating the anticancer potency of each compound was accomplished on colon cancer (HCT116), bladder cancer (T24), liver cancer (HepG2), lung cancer (A549) cancer cell lines as well as non-malignant lung cell (WI-38). The [Pd(hydten)Cl2] exhibits enhanced selective cytotoxicity contra the HCT116 malignant cell line (IC50 = 13.87 ± 3.72 μM), lower than that of 5-fluorouracil (5-FU, IC50=23.4 ± 2.4 μM), with minimal effects on healthy WI-38 cells.

Authors with CRIS profile

Rudi van Eldik Naturwissenschaftliche Fakultät

Involved external institutions

Cairo University EG Egypt (EG) University of Jyväskylä / Jyväskylän yliopisto FI Finland (FI)

How to cite

APA:

Ragab, M.S., Shoukry, M.M., El-Madany, H.M., Haukka, M., van Eldik, R., & Khalf-Alla, P.A. (2025). Synthesis, structural, equilibrium, anticancer, DNA binding, and computational investigation of binary and ternary palladium(II) complexes based on N-(2-hydroxyethyl)ethylenediamine. Journal of Coordination Chemistry. https://doi.org/10.1080/00958972.2025.2456219

MLA:

Ragab, Mona S., et al. "Synthesis, structural, equilibrium, anticancer, DNA binding, and computational investigation of binary and ternary palladium(II) complexes based on N-(2-hydroxyethyl)ethylenediamine." Journal of Coordination Chemistry (2025).

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