Evidence map›Paper›PMID 31859426›Full record

ArticleChembiochem : a European journal of chemical biology2020

Analysis of the Destabilization of Bacterial Membranes by Quaternary Ammonium Compounds: A Combined Experimental and Computational Study.

Saleh Alkhalifa, Megan C Jennings, Daniele Granata, Michael Klein, William M Wuest, Kevin P C Minbiole, Vincenzo Carnevale

Open access · greenAbstract read
In one paragraph

Article in Chembiochem : a European journal of chemical biology, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 49 papers, 1 of them a synthesis that pooled it.

0numbers the graph read from it
0cells of the map it votes in
49citing papers in PubMed, 1 pooled it
3.1field-weighted citation impact, top 8% of its field
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

49 citing papers in PubMed, 1 synthesis or guideline pooled it, 94 citations in OpenAlex.

  1. Pooled it
  2. Article
  3. Article
  4. [Study of the Sealing and Antibacterial Properties of Bioceramic Root Canal Sealers Modified With Quaternary Ammonium Salt].Sichuan da xue xue bao. Yi xue ban = Journal of Sichuan University. Medical science edition · 2026
    Article
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  8. Review
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  17. The mobilome landscape of biocide-resistance in Brazilian ESKAPE isolates.Brazilian journal of microbiology : [publication of the Brazilian Society for Microbiology] · 2024
    Article
  18. Article
  19. Review
  20. Highly Effective Biocides againstACS infectious diseases · 2024
    Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

7 authors at 3 institutions in 1 country.

Saleh AlkhalifaDepartment of Chemistry, Villanova University, 800 East Lancaster Avenue, Villanova, PA, 19085, USA.
Megan C JenningsDepartment of Chemistry, Temple University, 1901 North 13th Street, Philadelphia, PA, 19122, USA.
Daniele GranataDepartment of Chemistry, Temple University, 1901 North 13th Street, Philadelphia, PA, 19122, USA.
Michael KleinDepartment of Chemistry, Temple University, 1901 North 13th Street, Philadelphia, PA, 19122, USA.
William M WuestDepartment of Chemistry, Emory University, 1515 Dickey Drive, Atlanta, GA, 30322, USA.ORCID 0000-0002-5198-7744
Kevin P C MinbioleDepartment of Chemistry, Villanova University, 800 East Lancaster Avenue, Villanova, PA, 19085, USA.
Vincenzo CarnevaleDepartment of Chemistry, Temple University, 1901 North 13th Street, Philadelphia, PA, 19122, USA.
Temple University · USVillanova University · USEmory University · US

Funding

Natural Product-Inspired Approaches Toward The Development Of Antivirulence And Species-Specific InhibitorsR35GM119426 · NIGMS · TEMPLE UNIV OF THE COMMONWEALTH · PI William M Wuest · 2016 to 2026
$4.8M
Mapping Fitness & Free Energy Landscapes of ProteinsR35GM132090 · NIGMS · TEMPLE UNIV OF THE COMMONWEALTH · PI Ronald Levy · 2019 to 2026
$3.2M
Computer Cluster for Computational Biology and BiophysicsS10OD020095 · OD · TEMPLE UNIV OF THE COMMONWEALTH · PI LEVY, RONALD · 2015 to 2015
$442k
NIGMS NIH HHS R35 GM119426NIGMS NIH HHS R35 GM132090NIH HHS S10 OD020095
6 · The paper itself

Abstract

The mechanism of action of quaternary ammonium compound (QAC) antiseptics has long been assumed to be straightforward membrane disruption, although the process of approaching and entering the membrane has little modeling precedent. Furthermore, questions have more recently arisen regarding bacterial resistance mechanisms, and why select classes of QACs (specifically, multicationic QACs) are less prone to resistance. In order to better understand such subtleties, a series of molecular dynamics simulations were utilized to help identify these molecular determinants, directly comparing mono-, bis-, and triscationic QACs in simulated membrane intercalation models. Three distinct membranes were simulated, mimicking the surfaces of Escherichia coli and Staphylococcus aureus, as well as a neutral phospholipid control. By analyzing the resulting trajectories in the form of a timeseries analysis, insight was gleaned regarding the significant steps and interactions involved in the destabilization of phospholipid bilayers within the bacterial membranes. Finally, to more specifically probe the effect of the hydrophobic section of the amphiphile that presumably penetrates the membrane, a series of alkyl- and ester-based biscationic quaternary ammonium compounds were prepared, tested for antimicrobial activity against both Gram-positive and Gram-negative bacteria, and modeled.

Indexed as

Anti-Bacterial AgentsCell MembraneComputational BiologyGram-Negative BacteriaGram-Positive BacteriaLipid BilayersMembrane LipidsQuaternary Ammonium CompoundsSurface PropertiesAnti-Bacterial AgentsLipid BilayersMembrane LipidsQuaternary Ammonium Compoundsantibacterial compoundslipidsmolecular dynamicsquaternary ammonium compoundssimulations

Identifiers

PMID31859426
PMCPMC7237276
OpenAlexW2994847643

What OpenQuestion holds

Textmetadata
LicenceTDM
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.