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

Wang, Jiajun; Prajapati, Jigneshkumar Dahyabhai; Kleinekathöfer, Ulrich; Winterhalter, Mathias

doi:10.1039/d0sc03486j

Cited by 27 publications

(32 citation statements)

References 59 publications

(63 reference statements)

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“…OmpC and OmpF play a key role in pore formation and membrane transport ( 34 , 35 ). The significant upregulation in ompC and ompF transcriptional levels during colistin exposure could promote the transport of plasmid DNA and thereby facilitate plasmid conjugation.…”

Section: Discussionmentioning

confidence: 99%

Subinhibitory Concentration of Colistin Promotes the Conjugation Frequencies of Mcr-1- and bla _NDM-5 -Positive Plasmids

Xiao

Zeng

et al. 2022

Microbiol Spectr

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Section: Discussionmentioning

confidence: 99%

Subinhibitory Concentration of Colistin Promotes the Conjugation Frequencies of Mcr-1- and bla _NDM-5 -Positive Plasmids

Xiao

Zeng

et al. 2022

Microbiol Spectr

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“…The most recent study in this direction combines the appliedfield technique with the temperature-accelerated Brownian dynamics approach to demonstrate the effect of transmembrane voltages on the translocation of norfloxacin through several bacterial porins. 59 The present study incorporates well-tempered metadynamics, 60 multiple walker metadynamics, 61 and applied-field MD simulations 62 techniques to elaborate the effect of transmembrane voltages and types of ionic salts on the translocation of α-CD molecules through the ΔCymA channel. The free energy calculations were performed by biasing the position of the α-CD molecule along the channel.…”

Section: ■ Introductionmentioning

confidence: 99%

“…Nevertheless, a few earlier studies reported the application of external voltages and the inclusion of ionic salts ,, while performing enhanced sampling simulations. The most recent study in this direction combines the applied-field technique with the temperature-accelerated Brownian dynamics approach to demonstrate the effect of transmembrane voltages on the translocation of norfloxacin through several bacterial porins …”

Section: Introductionmentioning

confidence: 99%

Voltage-Dependent Transport of Neutral Solutes through Nanopores: A Molecular View

Prajapati

Kleinekathöfer

2020

J. Phys. Chem. B

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The permeation of (neutral) molecules through nanopores in the presence of external voltages depends on several factors including pore electrostatics, electrophoretic force, and electro-osmotic drag. In earlier single-channel electrophysiology experiments, voltage-dependent asymmetric transport of neutral αcyclodextrin (α-CD) molecules through the biological nanopore ΔCymA was observed. The voltage-dependent ion-associated flow of water, the so-called electro-osmotic flow, has been suggested to be the key factor behind the observed asymmetric behavior. The influence of pore electrostatics and electrophoretic force and their interplay with the electro-osmotic drag with varying buffers and voltages has not yet been analyzed at the molecular level. Hence, the detailed physical mechanism behind this intriguing permeation process is in part still unclear. In the present study, we have performed 36 μs all-atom free energy calculations by combining appliedfield molecular dynamics simulations with metadynamics techniques. The influence of several ionic conditions as well as external voltages on the permeation of α-CD molecules across the ΔCymA pore has been investigated. To decipher the thermodynamic and kinetic details, the lowest energy paths and the permeation times for α-CD translocation have been estimated. In the presence of KCl or MgCl 2 salts, the charge of the cations is found to control the direction and magnitude of the electro-osmotic flow, which in turn strongly affects α-CD permeation. Overall, the present findings significantly improve the fundamental understanding of the voltagedependent transport of neutral solutes across nanopores.

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“…C 3 H 6 O − has properties that make it easier to bind with divalent ions and when combined with Mg 2+ or Ca 2+ , magnesium propionate and calcium propionate are formed [39,40]. Norfloxacin, the positive control, is also known to cause alteration in cell membranes when combined with Mg 2+ , forming chelate [41]. In this study, first, PPA-treated cells showed a rapid decrease in intracellular Mg 2+ levels same as norfloxacin-treated cells.…”

Section: Discussionmentioning

confidence: 63%

Propionic acid induces apoptosis‐like death in Escherichia coli O157

Kim

Lee

2021

J Basic Microbiol

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Propionic acid (PPA), utilized in the manufacture of cellulose acetate propionate, is known to exhibit antimicrobial effects, but its mechanism in Escherichia coli O157 is still unknown. In general, antimicrobial activity is associated with reactive oxygen species (ROS), but ROS generation is not observed under PPA treatment. In addition to ROS, experiments were conducted to observe changes in trehalose and ion balance to discover factors that may affect the cell proliferation. Bacteria use trehalose, a sugar used for stabilization due to stress factors, which contradicts PPA concentration. Discrepancy in homeostasis follows as a result of ion imbalance. PPA causes interruption in bacterial internal stability in a dose-dependent manner.Membrane damage by ion imbalance occurs due to the binding ability of ionized PPA and divalent ions, which induce membrane depolarization, leading to a reduction in cell viability. Considering the lethal impact of membrane depolarization on cell death in bacteria, DNA fragmentation and phosphatidylserine exposure in apoptosis are confirmed. Due to severe damage in DNA, the activation of caspase-like protein is observed. Apoptosis-like death (ALD), a novel programmed cell death in bacteria, occurs eventually. In conclusion, ALD in E. coli O157 is induced via the contribution of homeostasis disruption in a ROS-independent manner.

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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 antibiotics molecules into (pathogenic) bacteria. In the present study we have investigated the effect of divalent...

Cited by 27 publications

References 59 publications

Subinhibitory Concentration of Colistin Promotes the Conjugation Frequencies of Mcr-1- and bla _NDM-5 -Positive Plasmids

Subinhibitory Concentration of Colistin Promotes the Conjugation Frequencies of Mcr-1- and bla _NDM-5 -Positive Plasmids

Voltage-Dependent Transport of Neutral Solutes through Nanopores: A Molecular View

Propionic acid induces apoptosis‐like death in Escherichia coli O157

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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 antibiotics molecules into (pathogenic) bacteria. In the present study we have investigated the effect of divalent...

Cited by 27 publications

References 59 publications

Subinhibitory Concentration of Colistin Promotes the Conjugation Frequencies of Mcr-1- and bla NDM-5 -Positive Plasmids

Subinhibitory Concentration of Colistin Promotes the Conjugation Frequencies of Mcr-1- and bla NDM-5 -Positive Plasmids

Voltage-Dependent Transport of Neutral Solutes through Nanopores: A Molecular View

Propionic acid induces apoptosis‐like death in Escherichia coli O157

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Product

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Subinhibitory Concentration of Colistin Promotes the Conjugation Frequencies of Mcr-1- and bla _NDM-5 -Positive Plasmids

Subinhibitory Concentration of Colistin Promotes the Conjugation Frequencies of Mcr-1- and bla _NDM-5 -Positive Plasmids