Internalization of antibiotics by the multi-resistant bacteria Acinetobacter baumannii through the CarO outer membrane porin

Abstract

Antibiotic resistance represents an emerging global health threat. In this contribution, we report all-atom molecular dynamics simulations of a bacterial protein in Acinetobacter baumanii. By using enhanced sampling we show the favorable internalization of the antibiotic via the CarO porin. This result correlates with the knockout or the mutation of the porin as a resistance mechanism.