A molecular overview of the polymyxin-LPS interaction in the context of its mode of action and resistance development

I Padhy, SK Dwibedy, SS Mohapatra - Microbiological Research, 2024 - Elsevier
With the rising incidences of antimicrobial resistance (AMR) and the diminishing options of
novel antimicrobial agents, it is paramount to decipher the molecular mechanisms of action …

Martini-3 Coarse-Grained Models for the Bacterial Lipopolysaccharide Outer Membrane of Escherichia coli

R Vaiwala, KG Ayappa - Journal of Chemical Theory and …, 2023 - ACS Publications
The outer lipopolysaccharide (LPS) membrane of Gram-negative bacteria forms the main
barrier for transport of antimicrobial molecules into the bacterial cell. In this study we develop …

Membrane-specific binding of 4 nm lipid nanoparticles mediated by an entropy-driven interaction mechanism

L Ou, H Chen, B Yuan, K Yang - ACS nano, 2022 - ACS Publications
Lipid nanoparticles (LNPs) are a leading biomimetic drug delivery platform due to their
distinctive advantages and highly tunable formulations. A mechanistic understanding of the …

Seeing is believing: Illuminating the Gram-negative outer membrane with molecular dynamics simulations

G Gutishvili, L Yang, JC Gumbart - Current Opinion in Structural Biology, 2024 - Elsevier
Recent advances in molecular dynamics (MD) simulations have led to rapid improvement in
our understanding of the molecular details of the outer membranes (OMs) of Gram-negative …

Polymyxins induce lipid scrambling and disrupt the homeostasis of Gram-negative bacteria membrane

L Fu, X Li, S Zhang, Y Dong, W Fang, L Gao - Biophysical Journal, 2022 - cell.com
Polymyxins are increasingly used as the last-line therapeutic option for the treatment of
infections caused by multidrug-resistant Gram-negative bacteria. However, efforts to address …

[HTML][HTML] Polymyxin B1 in the Escherichia coli inner membrane: A complex story of protein and lipopolysaccharide-mediated insertion

D Weerakoon, JK Marzinek, C Pedebos… - Journal of Biological …, 2024 - Elsevier
The rise in multi-drug resistant Gram-negative bacterial infections has led to an increased
need for “last-resort” antibiotics such as polymyxins. However, the emergence of polymyxin …

Role of Divalent Ions in Membrane Models of Polymyxin-Sensitive and Resistant Gram-Negative Bacteria

M Savenko, R Vácha, C Ramseyer… - Journal of Chemical …, 2025 - ACS Publications
Polymyxins, critical last-resort antibiotics, impact the distribution of membrane-bound
divalent cations in the outer membrane of Gram-negative bacteria. We employed atomistic …

Membrane-active peptides attack cell membranes in a lipid-regulated curvature-generating mode

Z Deng, X You, Z Lin, X Dong, B Yuan… - The Journal of Physical …, 2023 - ACS Publications
Membrane-active peptides (MAPs) exhibit great potential in biomedical applications due to
their unique ability to overcome the cell membrane barrier. However, the interactions …

Antibacterial Activity of Polymyxins Encapsulated in Nanocarriers Against Gram-Negative Bacteria

D de Lacerda Coriolano, JB de Souza… - Indian Journal of …, 2024 - Springer
Bacterial infections have become a global public health problem in recent decades, mainly
due to infections caused by Gram-negative bacteria with antibiotic resistance profiles, which …

Molecular dynamics simulation of the interactions of antimicrobial peptides with phospholipids of the inner membrane of gram-negative bacteria

Y Lisnyak, A Martynov, B Farber - International Journal of …, 2024 - inderscienceonline.com
Antimicrobial peptides (AMP), positively charged polypeptides, are now extensively studied
in the world to develop efficient drugs against extremely resistant bacterial strains. By …