ArticleBiophysical journal2014
Thermodynamics of antimicrobial lipopeptide binding to membranes: origins of affinity and selectivity.
Article in Biophysical journal, 2014. 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.
- N-terminal lipidation enhances membrane interaction and antifungal activity of a Trematocine-derived decapeptide.Applied microbiology and biotechnology · 2026Article
- Peptide Antigen Modifications Influence the On-Target and Off-Target Antibody Response for an Influenza Subunit Vaccine.Vaccines · 2025Article
- M2e-Derived Peptidyl and Peptide Amphiphile Micelles as Novel Influenza Vaccines.Pharmaceuticals (Basel, Switzerland) · 2024Article
- Design, synthesis and structure-activity relationship (SAR) studies of an unusual class of non-cationic fatty amine-tripeptide conjugates as novel synthetic antimicrobial agents.Frontiers in pharmacology · 2024Article
- Understanding the Role of Self-Assembly and Interaction with Biological Membranes of Short Cationic Lipopeptides in the Effective Design of New Antibiotics.Antibiotics (Basel, Switzerland) · 2022Article
- Surfactants - Compounds for inactivation of SARS-CoV-2 and other enveloped viruses.Current opinion in colloid & interface science · 2021Review
- The Short Lipopeptides (CAntibiotics (Basel, Switzerland) · 2020Article
- Molecular dynamics simulations informed by membrane lipidomics reveal the structure-interaction relationship of polymyxins with the lipid A-based outer membrane of Acinetobacter baumannii.The Journal of antimicrobial chemotherapy · 2020Article
- Inserting Small Molecules across Membrane Mixtures: Insight from the Potential of Mean Force.Biophysical journal · 2020Article
- Free energy calculations elucidate substrate binding, gating mechanism, and tolerance-promoting mutations in herbicide target 4-hydroxyphenylpyruvate dioxygenase.Protein science : a publication of the Protein Society · 2019Article
- Folding a viral peptide in different membrane environments: pathway and sampling analyses.Journal of biological physics · 2018Article
- Computational studies of peptide-induced membrane pore formation.Philosophical transactions of the Royal Society of London. Series B, Biological sciences · 2017Review
- Influence of membrane composition on the binding and folding of a membrane lytic peptide from the non-enveloped flock house virus.Biochimica et biophysica acta. Biomembranes · 2017Article
- Structural Behavior of the Peptaibol Harzianin HK VI in a DMPC Bilayer: Insights from MD Simulations.Biophysical journal · 2017Article
- Thermodynamics of Micelle Formation and Membrane Fusion Modulate Antimicrobial Lipopeptide Activity.Biophysical journal · 2015Article
- Better Together: Lipopeptide Micelle Formation Enhances Antimicrobial Selectivity.Biophysical journal · 2015Article
Corrections and comments
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Authors and funding
2 authors.
Funding
Abstract
The development of novel antibiotic drugs is one of the most pressing biomedical problems due to the increasing number of antibiotic-resistant pathogens. Antimicrobial peptides and lipopeptides are a promising category of candidates, but the molecular origins of their antimembrane activity is unclear. Here we explore a series of recently developed antimicrobial lipopeptides, using coarse-grained molecular-dynamics simulations and free energy methods to uncover the thermodynamics governing their binding to membranes. Specifically, we quantify C16-KGGK's binding affinity to the two types of membrane by umbrella sampling. We also examined the origin of C16-KGGK's selectivity for bacterial versus mammalian membranes by systematically varying the peptide sequence and salt concentration. Our data showed that the C16 hydrophobic tail is the main contributor to its affinity to lipid membrane, whereas the peptide portion is mainly responsible for its selectivity. Furthermore, the electrostatic interaction between the cationic peptide and anionic bacterial membrane plays a significant role in the selectivity.
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Registered trials
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