ArticleBiophysical journal2010
Bridging timescales and length scales: from macroscopic flux to the molecular mechanism of antibiotic diffusion through porins.
Article in Biophysical journal, 2010. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.
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Who cites it
16 citing papers in PubMed.
- Understanding Drug Permeability inLife (Basel, Switzerland) · 2025Review
- Improved Free-Energy Estimates for the Permeation of Bulky Antibiotic Molecules through Porin Channels Using Temperature-Accelerated Sliced Sampling.Journal of chemical theory and computation · 2025Article
- Molecular Mechanism of Ciprofloxacin Translocation Through the Major Diffusion Channels of the ESKAPE PathogensThe journal of physical chemistry. B · 2024Article
- Conformational flexibility driving charge-selective substrate translocation across a bacterial transporter.Chemical science · 2024Article
- Understanding antibiotic resistance via outer membrane permeability.Infection and drug resistance · 2018Review
- Article
- Exploring bacterial outer membrane barrier to combat bad bugs.Infection and drug resistance · 2017Review
- Enterobacter aerogenes and Enterobacter cloacae; versatile bacterial pathogens confronting antibiotic treatment.Frontiers in microbiology · 2015Review
- The binding of antibiotics in OmpF porin.Structure (London, England : 1993) · 2013Article
- OccK channels from Pseudomonas aeruginosa exhibit diverse single-channel electrical signatures but conserved anion selectivity.Biochemistry · 2012Article
- Article
- Mechanisms of ceftazidime and ciprofloxacin transport through porins in multidrug-resistance developed by extended-spectrum beta-lactamase E.coli strains.Journal of fluorescence · 2011Article
- Altered antibiotic transport in OmpC mutants isolated from a series of clinical strains of multi-drug resistant E. coli.PloS one · 2011Article
- Article
- Investigating reaction pathways in rare events simulations of antibiotics diffusion through protein channels.Journal of molecular modeling · 2010Article
- Implication of porins in beta-lactam resistance of Providencia stuartii.The Journal of biological chemistry · 2010Article
Corrections and comments
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Authors and funding
9 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Our aim in this study was to provide an atomic description of ampicillin translocation through OmpF, the major outer membrane channel in Escherichia coli and main entry point for beta-lactam antibiotics. By applying metadynamics simulations, we also obtained the energy barriers along the diffusion pathway. We then studied the effect of mutations that affect the charge and size at the channel constriction zone, and found that in comparison to the wild-type, much lower energy barriers are required for translocation. The expected higher translocation rates were confirmed on the macroscopic scale by liposome-swelling assays. A microscopic view on the millisecond timescale was obtained by analysis of temperature-dependent ion current fluctuations in the presence of ampicillin and provide the enthalpic part of the energy barrier. By studying antibiotic translocation over various timescales and length scales, we were able to discern its molecular mechanism and rate-limiting interactions, and draw biologically relevant conclusions that may help in the design of drugs with enhanced permeation rates.
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