Preparation, spectral, antimicrobial properties and anticancer molecular docking studies of new metal complexes [M(caffeine)4] (PF6)2; M = Fe(II), Co(II), Mn(II), Cd(II), Zn(II), Cu(II), Ni(II)

Abstract

The structure of the di-cationic complexes [M(II)(C8H10N4O2)4](PF6)2, M = Fe(II), Co(II), Mn(II), Cd(II), Zn(II), Cu(II), Ni(II) were prepared and characterized by molar conductance, FTIR, UV–visible, EPR and 31P, 19F, 1H, 13C NMR. The molar conductance data show that the complexes are electrolyte of the type 2:1. As well as, the results of infrared spectroscopic analysis shows the characteristic bands of caffeine and hexafluorophosphate (PF6−). Moreover, the multiplicity of signals in the spectrum of 1H NMR, exhibit that the cationic metals surrounded by four caffeine. Furthermore, the analysis electronic spectra of complexes shows that the complexes have tetrahedral geometry, except the copper complex, it has a square planar geometry. The antibacterial activity of the complexes was evaluated against some bacteria Escherichia coli, Staphylococcus aureus, Klebsiella pneumonia, Klebsiella oxytoca and Pseudomonas putida species. The results of the molecular docking show that the complexes have good affinity with the protein PI3Kγ.