Products Cited in Publications Worldwide Interactions of Nedaplatin with Nucleobases and Purine Alkaloids: Their Role in Cancer Therapy

Interactions of Nedaplatin with Nucleobases and Purine Alkaloids: Their Role in Cancer Therapy

Szupryczyński, Kamil; Szefler, Beata

DOI:

Abstract

Background: is a platinum-based anticancer drug that combines the benefits of and , retaining Cisplatin’s anticancer activity while reducing toxicity similar to . After hydrolysis, targets in DNA and forms cross-links that induce cell death via . However, it is important to consider how the presence of other chemical compounds with structural similarities to or , such as aromatic, purine, or compounds containing a nitrogen atom with a free electron pair, might influence its activity at the cellular level. with structures similar to DNA nucleobases are common, and their influence on Nedaplatin’s activity requires investigation. Methods: In this study, the interactions between (including its hydrolyzed forms, such as [Pt(NH3)2(H2O)2]2+ and [Pt(NH3)2(H2O)(OH)]+) and nucleobases (Adenine and Guanine) and purine (Caffeine, and Theophylline) were thoroughly investigated using theoretical (density functional theory, DFT) and experimental (UV-Vis spectroscopy) methods. DFT calculations were performed at the B3LYP/6-31G(d,p)/LANL2DZ and MN15/def2-TZVP levels, with structure optimization and harmonic analysis in the gas phase and aqueous solution (modeled using IEF-PCM). UV-Vis spectroscopy was used to verify theoretical findings by examining changes in absorption spectra. Results: Both theoretical and experimental studies confirmed that forms complexes with both nucleobases and purine . was found to exhibit a higher affinity for nucleobases than for purine . Furthermore, this affinity was dependent on the computational method used and on the hydrolyzed form of . Theoretical calculations showed the formation of stable complexes through bonding with nitrogen atoms in the ligand molecules, which was confirmed by changes in UV-Vis spectra, indicating adduct formation. Conclusions: The results indicate that readily forms complexes with both nucleobases and purine , showing a stronger affinity for nucleobases. This finding highlights the potential importance of Nedaplatin’s interactions with other compounds present in the body, which may influence its effectiveness and mechanism of action in therapy. These studies provide new insights into the molecular mechanisms of Nedaplatin’s action and may contribute to a better understanding of its pharmacological interactions. However, research requires confirmation not only in in vivo studies but also in clinical trials.

Keywords

; purine alkaloids ; cancer treatment ; Gibbs free energy change (∆Gr) ; Density Functional Theory (DFT) ; UV-Vis spectroscopy

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Nedaplatin

A10137795734-82-098%

Nedaplatin

70.0/100mg

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