2026-05-07T06:16:44Zhttps://riubu.ubu.es/oai/request

oai:riubu.ubu.es:10259/93162024-07-02T00:05:21Zcom_10259_4363com_10259_5086com_10259_2604col_10259_4364

Investigating the Cytotoxicity of Ru(II) Polypyridyl Complexes by Changing the Electronic Structure of Salicylaldehyde Ligands Taghizadeh Shool, Maryam Amiri Rudbari, Hadi Cuevas Vicario, José Vicente Rodríguez Rubio, Andrea Stagno, Claudio Iraci, Nunzio Efferth, Thomas Omer, Ejlal A. Schirmeister, Tanja Blacque, Olivier Moini, Nakisa Sheibani, Esmail A novel class of Ru(II)-based polypyridyl complexes with an auxiliary salicylaldehyde ligand [Ru(phen)2(X-Sal)]BF4 {X: H (1), 5-Cl (2), 5-Br (3), 3,5-Cl2 (4), 3,5-Br2 (5), 3-Br,5-Cl (6), 3,5-I2 (7), 5-NO2 (8), 5-Me (9), 4-Me (10), 4-OMe (11), and 4-DEA (12), has been synthesized and characterized by elemental analysis, FT-IR, and 1H/13C NMR spectroscopy. The molecular structure of 4, 6, 9, 10, and 11 was determined by single-crystal X-ray diffraction analysis which revealed structural similarities. DFT and TD-DFT calculations showed that they also possess similar electronic structures. Absorption/emission spectra were recorded for 2, 3, 10, and 11. All Ru-complexes, unlike the pure ligands and the complex lacking the salicylaldehyde component, displayed outstanding antiproliferative activity in the screening test (10 μM) against CCRF-CEM leukemia cells underlining the crucial role of the presence of the auxiliary ligand for the biological activity. The two most active derivatives, namely 7 and 10, were selected for continuous assays showing IC50 values in the submicromolar and micromolar range against drug-sensitive CCRF-CEM and multidrug-resistant CEM/ADR5000 leukemia cells, respectively. These two compounds were investigated in silico for their potential binding to duplex DNA well-matched and mismatched base pairs, since they showed remarkable selectivity indexes (2.2 and 19.5 respectively) on PBMC cells. 2024-07-01T06:53:20Z 2024-07-01T06:53:20Z 2024-07-01T06:53:20Z 2023-12-29 info:eu-repo/semantics/article 0020-1669 http://hdl.handle.net/10259/9316 10.1021/acs.inorgchem.3c03414 1520-510X eng Inorganic Chemistry. 2023, V. 63, n. 2, p. 1083-1101 https://doi.org/10.1021/acs.inorgchem.3c03414 http://creativecommons.org/licenses/by/4.0/ info:eu-repo/semantics/openAccess Atribución 4.0 Internacional ACS Publications