Contribution to Elucidating the Mechanism of Antimicrobial Action of a Dinuclear Pt/Cu Complex Against Enterococcus faecalis – In Silico Approach

Abstract

A previously conducted experimental study demonstrated that the dinuclear Pt/Cu complex examined here can very effectively inhibit the growth and development of Enterococcus faecalis, a bacterium whose infections can lead to serious consequences and which is resistant to numerous antibiotics. The structure of the investigated complex consists of [Pt(DMEAImiPr)Cl2] on one side and [CuCl2(terpy)], connected by 4,4′-bipyridine as a bridging ligand. As the aforementioned study revealed that this complex does not inhibit the gyrase of E. faecalis, the present work investigates the mechanism of bacterial growth inhibition in the presence of this dinuclear complex by applying the molecular method. It was found that the compound effectively inhibits the hydrolases of E. faecalis, even more efficiently than Doxycycline, and that both ligands bind to these proteins at the same active sites. Therefore, it is reasonably assumed that the mechanism of E. faecalis growth inhibition by the tested complex primarily involves the inhibition of the bacterium’s hydrolases.