Abstract
Three new palladium complexes ([Pd(DABA)Cl2], [Pd(CPDA)Cl2], and [Pd(HZPY)Cl2]) bearing dinitrogen ligands (DABA: 3,4-diaminobenzoic acid; CPDA: 4-chloro–o-phenylenediamine; HZPY: 2-hydraziniopyridine) were synthesized, characterized, and tested against breast cancer (MCF-7), prostate carcinoma cell line (PC3) and liver carcinoma cell line (HEPG2). [Pd(DABA)Cl2] complex exhibited the highest inhibition percentage, lying between 68–71%. The hydrolysis mechanism of each palladium complex, the key step preceding the binding to the biological target, as well as their photophysical properties were explored by means of DFT and TDDFT computations. Results indicate a faster hydrolysis process for the Pd(DABA)Cl2 complex. The computed activation energies for the first and second hydrolysis processes suggest that all the compounds could reach DNA in their monohydrated form.
Highlights
Coordination chemistry provides a massive number of metal complexes that can be used in different biological applications, including therapeutic and diagnostic medicine. [1,2,3,4,5,6,7,8].Cisplatin (cis-dichlorodiammineplatinum(II), cis-Pt(Cl2 (NH3 )2 ) represents one of the great success stories in the field of cancer chemotherapy for the treatment of testicular tumors whose biological activity arises from its ability to covalently bind DNA, inhibit transcription and replication, and cause cell death or apoptosis [9,10]
3209 cm−1 in the spectrum of the ligand (Figure S2a). These bands converge in one broad band shifted to a lower frequency (3213 cm−1 ) in the spectrum of the complex, suggesting the participation of the NH2 group in coordination
The compounds were synthesized, spectroscopically and thermally characterized, their hydrolysis mechanism as well as their photophysical properties were explored by means of DFT and TDDFT calculations, and their cytotoxic effects were tested against breast cancer (MCF-7), prostate carcinoma cell line (PC3) and liver carcinoma cell line (HEPG2)
Summary
Coordination chemistry provides a massive number of metal complexes that can be used in different biological applications, including therapeutic and diagnostic medicine. [1,2,3,4,5,6,7,8].Cisplatin (cis-dichlorodiammineplatinum(II), cis-Pt(Cl2 (NH3 )2 ) represents one of the great success stories in the field of cancer chemotherapy for the treatment of testicular tumors whose biological activity arises from its ability to covalently bind DNA, inhibit transcription and replication, and cause cell death or apoptosis [9,10]. Complexes are kinetically and thermodynamically stable and are 105 more reactive than analogues Pt(II) complexes They display lower antitumor activities, probably due to their high reactivity that does not preserve the complex structure until it reach the DNA targets [13,14,15,16,17]. Pd(II) complexes based on nitrogen-based ligands such as pyridine, quinolines, pyrazoles, and 1,10-phenanthroline have shown potential antitumor activities. These ligands stabilize and control the palladium-based species in the biological systems rather than reducing the cis-trans isomerism [22]. The cytotoxic activities of the palladium complexes were studied against cancer cell lines. To give insights on the hydrolysis reaction mechanism and kinetics, DFT studies are presented together with TDDFT exploration of the UV–Vis spectra of each compound, providing characterizations of each transition band
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