The effect of Pd(II) and Pt(II) coordination on the affinity of avibactam to OXA-48 β-lactamase

Abstract

There is a constant necessity of finding new, reliable antimicrobials, due to the rapid emergence of antibiotic resistant bacteria. This paper tries to address this issue, as the possibility of formation of Pd(II) and Pt(II) coordination compounds of avibactam and their properties were investigated. Moreover, the effect of complexation on interactions with OXA-48 β-lactamase was thoroughly examined with computational approaches. It was found that the formation of Pd(II) and Pt(II) complexes of avibactam is thermodynamically favorable. Furthermore, it was observed that the binding energies of Pd(Avi)2 to OXA-48 approach that of Avibactam, whereas that of Pt(Avi)2 are somewhat less favorable. As such, they may be considered as new potential non-β-lactam β-lactamase inhibitors.

Keywords

• Avibactam
• Palladium complex
• Platinum complex
• Molecular dynamics