Dynamic interaction of fluoroquinolones with magnesium ions monitored using bacterial outer membrane nanopores.

ABSTRACT: Divalent ions are known to have a severe effect on the translocation of several antibiotic molecules into (pathogenic) bacteria. In the present study we have investigated the effect of divalent ions on the permeability of norfloxacin across the major outer membrane channels from E. coli (OmpF and OmpC) and E. aerogenes (Omp35 and Omp36) at the single channel level. To understand the rate limiting steps in permeation, we reconstituted single porins into planar lipid bilayers and analyzed the ion current fluctuations caused in the presence of norfloxacin. Moreover, to obtain an atomistic view, we complemented the experiments with millisecond-long free energy calculations based on temperature-accelerated Brownian dynamics simulations to identify the most probable permeation path

SUBMITTER: Wang J 

PROVIDER: S-EPMC8162440 | biostudies-literature | 2020 Aug

REPOSITORIES: biostudies-literature