ArticleInternational journal of molecular sciences2019
Self-Association of Antimicrobial Peptides: A Molecular Dynamics Simulation Study on Bombinin.
Article in International journal of molecular sciences, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 18 papers.
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Who cites it
18 citing papers in PubMed.
- A MarineMarine drugs · 2026Article
- Unveiling the Modes of Action of a Recombinant Antimicrobial Peptide, Hepcidin (rGf-Hep), from Gerres filamentosus Against Pathogenic Vibrios: Membrane Disintegration and Reactive Oxygen Species Generation Leading to Cell Death.Probiotics and antimicrobial proteins · 2026Article
- Very Stable High-Molecular-Mass Multiprotein Complexes in Different Organs of the Sea CucumberMolecules (Basel, Switzerland) · 2025Article
- Role of Peptide Associations in Enhancing the Antimicrobial Activity of Adepantins: Comparative Molecular Dynamics Simulations and Design Assessments.International journal of molecular sciences · 2024Article
- In silico and physico-chemical characterization of cluster formation dynamics in peptide solutions.Biochemistry and biophysics reports · 2024Article
- 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
- Advancements in antimicrobial nanoscale materials and self-assembling systems.Chemical Society reviews · 2022Review
- Simulation Study of the Effect of Antimicrobial Peptide Associations on the Mechanism of Action with Bacterial and Eukaryotic Membranes.Membranes · 2022Article
- Membrane fluidity, composition, and charge affect the activity and selectivity of the AMP ascaphin-8.Biophysical journal · 2022Article
- Antimicrobial Peptides: From Design to Clinical Application.Antibiotics (Basel, Switzerland) · 2022Review
- Polymer Conjugates of Antimicrobial Peptides (AMPs) with d-Amino Acids (d-aa): State of the Art and Future Opportunities.Pharmaceutics · 2022Review
- Antimicrobial Peptides: An Update on Classifications and Databases.International journal of molecular sciences · 2021Review
- Mechanistic Understanding from Molecular Dynamics in Pharmaceutical Research 2: Lipid Membrane in Drug Design.Pharmaceuticals (Basel, Switzerland) · 2021Review
- Molecular and Functional Characterization of an Anti-lipopolysaccharide Factor Mm-ALF from Speckled Shrimp Metapenaeus monoceros.Probiotics and antimicrobial proteins · 2021Article
- Physicochemical Features and Peculiarities of Interaction of AMP with the Membrane.Pharmaceuticals (Basel, Switzerland) · 2021Review
- Antimicrobial and Amyloidogenic Activity of Peptides. Can Antimicrobial Peptides Be Used against SARS-CoV-2?International journal of molecular sciences · 2020Review
- Aggregation State of Synergistic Antimicrobial Peptides.The journal of physical chemistry letters · 2020Article
- Designer Biopolymers: Self-Assembling Proteins and Nucleic Acids.International journal of molecular sciences · 2020Article
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Authors and funding
4 authors.
Funding
Abstract
Antimicrobial peptides (AMPs) are a diverse group of membrane-active peptides which play a crucial role as mediators of the primary host defense against microbial invasion. Many AMPs are found to be fully or partially disordered in solution and to acquire secondary structure upon interaction with a lipid membrane. Here, we report molecular dynamics simulations studies on the solution behaviour of a specific AMP, bombinin H2. We show that in monomeric form in water solution the peptide is somewhat disordered and preferably adopts a helix-loop-helix conformation. However, when more than a single monomer is placed in the solution, the peptides self-associate in aggregates. Within the aggregate, the peptides provide each other with an amphipathic environment that mimics the water-membrane interface, which allows them to adopt a single-helix structure. We hypothesise that this is the mechanism by which bombinin H2 and, possibly, other small linear AMPs reach the target membrane in a functional folded state and are able to effectively exert their antimicrobial action on it.
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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.