Synthesis and Characterization of Organoplatinum(II) Complexes Containing Isocyanide Ligands: Molecular Docking Studies

The present work investigates synthesis and characterization of two organoplatinum(II) complexes comprising various isocyanide ligands with general formula of [PtR'2(CNR)2] (R' = p-tolyl, R = 2-chloro-6-methylphenyl (1) and 2-naphtyl (2)). The resulting complexes were characterized by multinuclear (1H, 13C, 195Pt) NMR spectroscopy by assistance of two dimensional (HH COSY and HSQC) NMR technique. Besides, HH-NOESY (Nuclear Overhauser Effect Spectroscopy) technique was employed to provide more accurate 1HNMR assignments. In order to have a better structural vision for the complexes, the structures were optimized by DFT (Density Functional Theory) method in CH2Cl2 solution. The molecular docking studies were performed for complexes 1 and 2 while it revealed the specific binding site, binding mode and the best orientation of the complexes to DNA.