Cytotoxicity of Alizarine versus Tetrabromocathecol Cyclometalated Pt(II) Theranostic Agents: A Combined Experimental and Computational Investigation.

ABSTRACT: Platinum compounds cytotoxicity is strictly related to their ability to be converted into active mono- and di-aquated species and consequently to the replacement of labile ligands by water molecules. This activation process makes the platinum center prone to nucleophilic substitution by DNA purines. In the present work, quantum mechanical density functional theory (DFT) computations and experimental investigations were carried out in order to shed light on the relationship between the internalization, aquation, and DNA binding of two isostructural anionic theranostic complexes previously reported by our group, NBu₄[(PhPy)Pt(Aliz)], 1 (IC₅₀ 1.9 ± 1.6 μM), and NBu₄[(PhPy)Pt(BrCat)], 2 (IC₅₀ 52.8 ± 3.9 μM). Cisplatin and a neutral comp

SUBMITTER: Mazzone G 

PROVIDER: S-EPMC9092348 | biostudies-literature | 2022 May

REPOSITORIES: biostudies-literature