Putative Β-lactamase Research Articles

AM1 calculations on a series of bicyclic azetidin-2-ones and bicyclic 1,3-diazetidin-2-ones: investigations towards putative β-lactamase inactivators

In this study we have carried out AM1 calculations on a series of bicyclic azetidin-2-ones and bicyclic 1,3-diazetidin-2-ones to assess the thermochemical stability and electrophilicity of the carbonyl group. Theoretical investigations based on calculated heats of formation, H f and atomic charges, q, predict that bicyclic diazetidinones are stable systems with a highly electrophilic carbonyl group. The results suggest that bicyclic 1,3-diazetidin-2-ones should be explored as a novel class of β-lactamase inactivators.