Abstract
In the present work, two water-soluble amino acid–Pt complexes, [Pt(phd)(AA)]ClO4, (phd = 1,10-phenanthroline-5,6-dione; 1, AA = L-isoleucine and 2, AA = L-leucine) have been introduced. The preparation and characterization of two novel water-soluble platinum complexes were performed. Molecular docking, ADME, and DFT were used to study these complexes theoretically. The mechanism of DNA binding was studied using fluorescence, UV–Vis, and CD spectroscopy. Fluorescence data indicated a static mechanism for quenching DNA. According to thermodynamic parameters, DNA and Pt(II) complexes interact via groove binding and intercalation. CD spectra indicated that both complexes show an increase in intensity across all bands. Experimental data agree with docking studies and DFT calculations. In sum, groove binding and intercalation are the mechanisms of binding to DNA. Based on cytotoxicity studies, both complexes showed higher anticancer activity against A2780SP cell line than cisplatin. Moreover, complex 2 is more active than complex 1 according to all theoretical and experimental evidence.
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