ArticlePLoS computational biology2015
Interaction of the antimicrobial peptide polymyxin B1 with both membranes of E. coli: a molecular dynamics study.
Article in PLoS computational biology, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 80 papers.
What it found
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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.
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Who cites it
80 citing papers in PubMed, 184 citations in OpenAlex.
- Rational Design and In Silico Evaluation of a Dual-Action Antimicrobial Peptide Targeting Efflux Pump and Membrane Integrity in Pseudomonas aeruginosa.Probiotics and antimicrobial proteins · 2026Article
- Targeted Design of Novel Antimicrobial Peptides againstACS omega · 2026Article
- Guidelines for Comparing Circular Dichroism Spectroscopy and Molecular Dynamics Simulations for Biomolecules.Chemphyschem : a European journal of chemical physics and physical chemistry · 2026Article
- Small Molecular Peptides and Their Potential Antifungal Activities During the Pile-Fermentation of Post-Fermented Tea.Foods (Basel, Switzerland) · 2026Article
- Computer Simulations of Multidrug Efflux Pumps of the Resistance-Nodulation-Cell Division Superfamily.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Polymyxins slow down lateral diffusion of proteins and lipopolysaccharide in the E. coli outer membrane.Communications biology · 2025Article
- Interaction of Nanoparticles with Multidrug-Resistant Bacteria.ACS omega · 2025Article
- Rapid accumulation of fluorophores and fast kill identify drugs with bactericidal effects against Gram-negative bacteria.Microbiology (Reading, England) · 2025Article
- Article
- Retargeting Gram-Positive-Only Adarotene-Derived Antibacterials to Broad-Spectrum Antibiotics.Antibiotics (Basel, Switzerland) · 2025Article
- Water-Mediated Dissemination and Detection of Antibiotic Resistance Across Livestock, Agri-Food, and Aquaculture Systems.Micromachines · 2025Review
- Bactericidal activity of mammalian histones is caused by large membrane pore formation.Cell reports · 2025Article
- Role of Divalent Ions in Membrane Models of Polymyxin-Sensitive and Resistant Gram-Negative Bacteria.Journal of chemical information and modeling · 2025Article
- Understanding the selectivityFrontiers in bioinformatics · 2025Article
- Novel Synthetic Peptide Agelaia-12 Has Improved Activity AgainstPathogens (Basel, Switzerland) · 2024Article
- Investigation on the Synergy between Membrane Permeabilizing Amphiphilic α-Hydrazido Acids and Commonly Used Antibiotics against Drug-Resistant Bacteria.Molecules (Basel, Switzerland) · 2024Article
- Faster but Not Sweeter: A Model ofJournal of chemical theory and computation · 2024Article
- Review
- Potent activity of polymyxin B is associated with long-lived super-stoichiometric accumulation mediated by weak-affinity binding to lipid A.Nature communications · 2024Article
- Combined effect of SAR-endolysin LysKpV475 with polymyxin B andMicrobiology (Reading, England) · 2024Article
20 more citing papers are in PubMed but not listed here.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
6 authors at 3 institutions in 2 countries.
Funding
Abstract
Antimicrobial peptides are small, cationic proteins that can induce lysis of bacterial cells through interaction with their membranes. Different mechanisms for cell lysis have been proposed, but these models tend to neglect the role of the chemical composition of the membrane, which differs between bacterial species and can be heterogeneous even within a single cell. Moreover, the cell envelope of Gram-negative bacteria such as E. coli contains two membranes with differing compositions. To this end, we report the first molecular dynamics simulation study of the interaction of the antimicrobial peptide, polymyxin B1 with complex models of both the inner and outer membranes of E. coli. The results of >16 microseconds of simulation predict that polymyxin B1 is likely to interact with the membranes via distinct mechanisms. The lipopeptides aggregate in the lipopolysaccharide headgroup region of the outer membrane with limited tendency for insertion within the lipid A tails. In contrast, the lipopeptides readily insert into the inner membrane core, and the concomitant increased hydration may be responsible for bilayer destabilization and antimicrobial function. Given the urgent need to develop novel, potent antibiotics, the results presented here reveal key mechanistic details that may be exploited for future rational drug development.
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Registered trials
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.