ArticleBiochemistry2013
Simulating the mechanism of antimicrobial lipopeptides with all-atom molecular dynamics.
Article in Biochemistry, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 20 papers.
What it found
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Who cites it
20 citing papers in PubMed.
- Microbial lipopeptides: their pharmaceutical and biotechnological potential, applications, and way forward.World journal of microbiology & biotechnology · 2024Review
- Development of novel broad-spectrum antimicrobial lipopeptides derived from plantaricin NC8 β.Scientific reports · 2023Article
- Residual Interactions of LL-37 with POPC and POPE:POPG Bilayer Model Studied by All-Atom Molecular Dynamics Simulation.International journal of molecular sciences · 2022Article
- Effects of cholesterol on the mechanism of fengycin, a biofungicide.Biophysical journal · 2022Article
- Biological Membrane-Penetrating Peptides: Computational Prediction and Applications.Frontiers in cellular and infection microbiology · 2022Review
- Understanding the Antibacterial Resistance: Computational Explorations in Bacterial Membranes.ACS omega · 2021Review
- High-speed atomic force microscopy highlights new molecular mechanism of daptomycin action.Nature communications · 2020Article
- Interaction of Antimicrobial Lipopeptides with Bacterial Lipid Bilayers.The Journal of membrane biology · 2019Article
- Physical properties of model biological lipid bilayers: insights from all-atom molecular dynamics simulations.Journal of molecular modeling · 2019Article
- Design, antimicrobial activity and mechanism of action of Arg-rich ultra-short cationic lipopeptides.PloS one · 2019Article
- Computed Free Energies of Peptide Insertion into Bilayers are Independent of Computational Method.The Journal of membrane biology · 2018Article
- Selectivity and Mechanism of Fengycin, an Antimicrobial Lipopeptide, from Molecular Dynamics.The journal of physical chemistry. B · 2018Article
- Lipids Alter Rhodopsin Function via Ligand-like and Solvent-like Interactions.Biophysical journal · 2018Article
- Structural Behavior of the Peptaibol Harzianin HK VI in a DMPC Bilayer: Insights from MD Simulations.Biophysical journal · 2017Article
- Targeting and Internalization of Liposomes by Bladder Tumor Cells Using a Fibronectin Attachment Protein-Derived Peptide-Lipopolymer Conjugate.Bioconjugate chemistry · 2017Article
- Sustained Release of Antibacterial Lipopeptides from Biodegradable Polymers against Oral Pathogens.PloS one · 2016Article
- Thermodynamics of Micelle Formation and Membrane Fusion Modulate Antimicrobial Lipopeptide Activity.Biophysical journal · 2015Article
- Lightweight object oriented structure analysis: tools for building tools to analyze molecular dynamics simulations.Journal of computational chemistry · 2014Article
- Thermodynamics of antimicrobial lipopeptide binding to membranes: origins of affinity and selectivity.Biophysical journal · 2014Article
- Novel formulations for antimicrobial peptides.International journal of molecular sciences · 2014Review
Corrections and comments
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Authors and funding
3 authors.
Funding
Abstract
The emergence of antibiotic resistant pathogens is one of the major medical concerns of the 21st century, prompting renewed interest in the development of novel antimicrobial compounds. Here we use microsecond-scale all-atom molecular dynamics simulations to characterize the structure, dynamics, and membrane-binding mechanism of a synthetic antimicrobial lipopeptide, C16-KGGK. Our simulations suggest that these lipopeptides prefer to aggregate in solution and alter the intrinsic order of the lipid bilayer upon binding. From these results and previous coarse-grained simulations, we have developed a simple model for the binding and insertion process for these lipopeptides.
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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.