Elucidating the interaction of enantiomeric Cu(II) complexes with DNA, RNA and HSA: a comparative study

Abstract To find out the potential of enantiomeric copper complexes (1S and 1R) as therapeutics, interactions studies with three different biomacromolecules (ct-DNA, tRNA and HSA) were carried out by employing various biophysical viz; absorption, fluorescence, circular dichroism, morphological and computational studies. The results revealed an efficient association of complexes 1S and 1R with ct-DNA, tRNA and HSA essentially sustained by non-covalent interactions which were evidenced from Kb and Ksv values. The binding constant values revealed 10-fold greater binding affinity of complexes with tRNA and HSA as compared to ct-DNA; the binding affinity was found in the order tRNA > HSA > ct-DNA. S-enantiomeric complex 1S exhibited higher binding propensity over its R-analog 1R with all three macromolecules. In silico molecular modeling and Hirshfeld studies corroborated well with the spectroscopic results and validated the interaction of complexes 1S and 1R with the biomolecules via hydrogen bonds, hydrophobic and van der Waal interactions. The results revealed that S-enantiomeric complex 1S is a more avid binder towards all three biological targets and holds a great potential to act as a promising stereospecific chemotherapeutic agent.