Structural characterization and thermodynamic behavior of melittin-derived peptide interactions with gram-positive bacterial cell membranes using molecular dynamics simulation

January 1, 2026RSC AdvancesOpen Access

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Key Points

This research aims to explore how melittin-derived peptides interact with the membranes of gram-positive bacteria.
Conducted molecular dynamics simulations to analyze MDP1-membrane interactions.
Examined varying peptide concentrations to assess their impact on membrane integrity.
Evaluated thermodynamic properties during peptide interactions with bacterial bilayers.
Localized disruption of gram-positive bacterial bilayers was observed at different peptide concentrations.
Higher concentrations of melittin-derived peptides led to more significant membrane disruptions.

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Molecular dynamics simulation uncovers disruption of membranes by melittin-derived peptides, indicating potential antibacterial properties.

MDP1–membrane interactions at different concentrations induce localized disruption in Gram-positive bacterial bilayers.

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Delshad et al. (2026) studied this question.

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