Harnessing antimicrobial peptide-functionalized nanoparticles: a perspective on experimental and computational strategies to combat antibiotic resistance

Abstract

Antimicrobial peptides (AMPs) and nanoparticles (NPs) are at the forefront of novel strategies against antimicrobial resistance (AMR). The focus of this perspective is a conjugated system: AMP–NPs, which can be used to enhance the stability and targeting of antimicrobial activity. This perspective highlights the emerging role of molecular dynamics (MD) simulations as a key tool for designing and optimizing these hybrid systems. By integrating experimental findings with MD-driven insights, researchers can accelerate the development of next-generation antimicrobial platforms that are both effective and scalable. This convergence of nanotechnology and computational modelling offers a promising path toward overcoming the AMR crisis.