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This is an early access version, the complete PDF, HTML, and XML versions will be available soon.
Article

Synthesis, Characterization, HSA/DNA Binding, and Cytotoxic Activity of [RuCl2(η6-p-cymene)(bph-κN)] Complex

by
Stefan Perendija
1,
Dušan Dimić
1,
Thomas Eichhorn
2,
Aleksandra Rakić
1,
Luciano Saso
3,
Đura Nakarada
1,
Dragoslava Đikić
4,
Teodora Dragojević
4,
Jasmina Dimitrić Marković
1,* and
Goran N. Kaluđerović
2,*
1
Faculty of Physical Chemistry, University of Belgrade, 11000 Belgrade, Serbia
2
Department of Engineering and Natural Sciences, University of Applied Sciences Merseburg, D-06217 Merseburg, Germany
3
Department of Physiology and Pharmacology “Vittorio Erspamer”, Sapienza University of Rome, 00185 Rome, Italy
4
Institute for Medical Research, University of Belgrade, 11000 Belgrade, Serbia
*
Authors to whom correspondence should be addressed.
Molecules 2025, 30(15), 3088; https://doi.org/10.3390/molecules30153088
Submission received: 16 June 2025 / Revised: 11 July 2025 / Accepted: 17 July 2025 / Published: 23 July 2025
(This article belongs to the Special Issue Transition Metal Complexes with Bioactive Ligands)
Versions Notes

Abstract

A novel ruthenium(II) complex, [RuCl2(η6-p-cymene)(bph-κN)] (1), was synthesized and structurally characterized using FTIR and NMR spectroscopy. Density functional theory (DFT) calculations supported the proposed geometry and allowed for comparative analysis of experimental and theoretical spectroscopic data. The interaction of complex 1 with human serum albumin (HSA) and calf thymus DNA was investigated through fluorescence quenching experiments, revealing spontaneous binding driven primarily by hydrophobic interactions. The thermodynamic parameters indicated mixed quenching mechanisms in both protein and DNA systems. Ethidium bromide displacement assays and molecular docking simulations confirmed DNA intercalation as the dominant binding mode, with a Gibbs free binding energy of −34.1 kJ mol−1. Antioxidant activity, assessed by EPR spectroscopy, demonstrated effective scavenging of hydroxyl and ascorbyl radicals. In vitro cytotoxicity assays against A375, MDA-MB-231, MIA PaCa-2, and SW480 cancer cell lines revealed selective activity, with pancreatic and colorectal cells showing the highest sensitivity. QTAIM analysis provided insight into metal–ligand bonding characteristics and intramolecular stabilization. These findings highlight the potential of 1 as a promising candidate for further development as an anticancer agent, particularly against multidrug-resistant tumors.
Keywords: Ru(II) complex; HSA; DNA; DFT; EPR; molecular docking; in vitro activity Ru(II) complex; HSA; DNA; DFT; EPR; molecular docking; in vitro activity

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MDPI and ACS Style

Perendija, S.; Dimić, D.; Eichhorn, T.; Rakić, A.; Saso, L.; Nakarada, Đ.; Đikić, D.; Dragojević, T.; Dimitrić Marković, J.; Kaluđerović, G.N. Synthesis, Characterization, HSA/DNA Binding, and Cytotoxic Activity of [RuCl2(η6-p-cymene)(bph-κN)] Complex. Molecules 2025, 30, 3088. https://doi.org/10.3390/molecules30153088

AMA Style

Perendija S, Dimić D, Eichhorn T, Rakić A, Saso L, Nakarada Đ, Đikić D, Dragojević T, Dimitrić Marković J, Kaluđerović GN. Synthesis, Characterization, HSA/DNA Binding, and Cytotoxic Activity of [RuCl2(η6-p-cymene)(bph-κN)] Complex. Molecules. 2025; 30(15):3088. https://doi.org/10.3390/molecules30153088

Chicago/Turabian Style

Perendija, Stefan, Dušan Dimić, Thomas Eichhorn, Aleksandra Rakić, Luciano Saso, Đura Nakarada, Dragoslava Đikić, Teodora Dragojević, Jasmina Dimitrić Marković, and Goran N. Kaluđerović. 2025. "Synthesis, Characterization, HSA/DNA Binding, and Cytotoxic Activity of [RuCl2(η6-p-cymene)(bph-κN)] Complex" Molecules 30, no. 15: 3088. https://doi.org/10.3390/molecules30153088

APA Style

Perendija, S., Dimić, D., Eichhorn, T., Rakić, A., Saso, L., Nakarada, Đ., Đikić, D., Dragojević, T., Dimitrić Marković, J., & Kaluđerović, G. N. (2025). Synthesis, Characterization, HSA/DNA Binding, and Cytotoxic Activity of [RuCl2(η6-p-cymene)(bph-κN)] Complex. Molecules, 30(15), 3088. https://doi.org/10.3390/molecules30153088

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