Journal
NANOSCALE
Volume 13, Issue 23, Pages 10342-10355Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/d0nr08146a
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Funding
- Engineering and Physical Sciences Research Council (EPSRC) through the Centre for Doctoral Training Cross Disciplinary Approaches to NonEquilibrium Systems (CANES) [EP/L015854/1]
- CAPES [88881.197985/2018-01]
- EPSRC [EP/R029407/1]
- Engineering and Physical Sciences Research Council [EP/P020259/1]
- Science and Technology Facilities Council
- EPSRC [EP/R029407/1, EP/P020259/1] Funding Source: UKRI
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This study investigates the molecular mechanism, stability, and interaction of antibacterial nanocapsules with model membranes, using Molecular Dynamics and protein design strategies.
The pressing need of new antimicrobial products is growing stronger, particularly because of widespread antimicrobial resistance, endangering our ability to treat common infections. The recent coronavirus pandemic has dramatically highlighted the necessity of effective antibacterial and antiviral protection. This work explores at the molecular level the mechanism of action of antibacterial nanocapsules assembled in virus-like particles, their stability and their interaction with mammal and antimicrobial model membranes. We use Molecular Dynamics with force-fields of different granularity and protein design strategies to study the stability, self-assembly and membrane poration properties of these nanocapsules.
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