Palladium(II) and platinum(II) complexes of N-butyl-N-phenyldithiocarbamate: Synthesis, characterization, biological activities and molecular docking studies

The reaction of ammonium N-butyl-N-phenyldithiocarbamate with the chloride salts of platinum and palladium, at room temperature, leads to the formation of [PtL2] and [PdL2](L = N-butyl-N-phenyldithiocarbamate). These compounds have been fully characterized by elemental analysis, UV-vis, NMR and FTIR spectroscopies, and single crystal X-ray diffraction. Crystal structure show that the two complexes are centrosymmetrical with distorted square planar geometry. The antimicrobial activity of the complexes were evaluated against some selected bacteria strains (Escherichia coli and Staphylococcus aureus) and fungi (Aspergillus flavus and Fasiparium oxysporium). Both compounds exhibited good fungicidal and bactericidal activities that compared favourably with Ketoconazole and Streptomycin which were used as control drugs. Molecular docking studies were conducted in order to examine the molecular interaction of the complexes with microbial enzymes. The two complexes displayed strong binding interactions with the microbial enzyme systems, and in all cases outperformed the crystallographic ligand (glucosamine 6-phosphate) by about -2.0 kcal/mol. (C) 2016 Elsevier B.V. All rights reserved.