DNA binding and molecular docking of four palladium(II) complexes with O,O’-dialkyl esters of (S,S)-propylenediamine-N,N’-di-2-(2-benzyl) acetic acid

Abstract

The antitumor activity of platinum-based complexes still captures the attention of scientists and new potential drugs are being synthesized and investigated. Although complexes of palladium(II) ion show less cytotoxicity compared to platinum(II) complexes due to the high reactivity of the palladium center, research in this field has continued and many authors have found that auxiliary chelating ligands can improve complex stability and their cytotoxicity. As a consequence of rapid ligand exchange, the probability of palladium(II) complexes reaching the biological target in organisms seems to be low. The use of chelating ligands has been proposed as a solution to this problem. In our paper, the interactions of new palladium(II) complexes with ethyl (C1), propyl (C2), buthyl (C3) and pentyl (C4) ester of (S,S)- propylenediamine-N,N'-di-2-(2-benzyl) acetic acid with calf thymus DNA (CT-DNA) was studied by fluorescence spectroscopy and electronic absorption spectroscopy, while molecular docking simulations were used to examine the inhibitor efficiency of C1-C4 against DNA receptor.