Charge-Governed Solvation Behaviour of Novel AMPs (original) (raw)

Antimicrobial peptides (AMPs), vital components of the innate immune response, offer a promising alternative to conventional antimicrobials due to their ability to combat multidrug-resistant bacteria. This study explores the behavior of two novel AMPs isolated from Helix aspersa mucus using long-scale molecular dynamics simulations in mono- and multicomponent solutions. Results indicate that AMP monomers aggregate into structures that facilitate selective electrostatic interactions with bacterial membranes while shielding their hydrophobic cores, enhancing their therapeutic potential.