Simulation-Guided Molecular Modeling of Nisin and Lipid II Assembly and Membrane Pore Formation

Simulation-Guided Molecular Modeling of Nisin and Lipid II Assembly and Membrane Pore Formation

The lantibiotic pore-forming peptide nisin is a promising candidate in the fight against multidrug-resistant bacteria due to its unique structure, which allows it to disrupt bacteria in two distinct waysLipid II trafficking and transmembrane pore formation. However, exactly how nisin and Lipid II a...

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Bibliographic Details
Main Author: Hugo A. Perez (16839847) (author)
Other Authors: Zhe Wang (41178) (author), Bernard S. Gerstman (1514947) (author), Jin He (341320) (author), Prem P. Chapagain (1514950) (author)
Published: 2024
Subjects:
Biophysics
Biochemistry
Cell Biology
Pharmacology
Computational Biology
Chemical Sciences not elsewhere classified
Physical Sciences not elsewhere classified
incur enhanced stability
guided molecular modeling
guided modeling approach
transmembrane pore formation
popg lipid bilayer
nisin monomers within
nisin monomers dimerize
resistant bacteria due
lipid ii assemble
spontaneous peptide assembly
nisin – nisin
forming peptide nisin
oligomeric pore structures
membrane pore formation
lipid ii assembly
atom md simulations
lipid ii
oligomeric structures
lantibiotic pore
forming β
disrupt bacteria
unique structure
time scale
structural integrity
results provide
promising candidate
membrane environment
extensive microsecond
dimer interface
clearer understanding
bacterial membrane
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