1. Lipid‑A‑dependent and cholesterol‑dependent dynamics properties of liposomes from gram‑negative bacteria in ESKAPE
- Author
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Ministerio de Ciencia e Innovación (España), Red Española de Supercomputación, Franco-Gonzalez, Juan Felipe [0000-0002-5095-5257], Matamoros-Recio, Alejandra [0000-0003-1563-9408], Torres-Mozas, Ángel [0000-0001-6098-0707], Martín-Santamaría, Sonsoles [0000-0002-7679-0155], Franco-Gonzalez, Juan Felipe, Matamoros-Recio, Alejandra, Torres-Mozas, Ángel, Rodrigo-Lacave, Blanca, Martín-Santamaría, Sonsoles, Ministerio de Ciencia e Innovación (España), Red Española de Supercomputación, Franco-Gonzalez, Juan Felipe [0000-0002-5095-5257], Matamoros-Recio, Alejandra [0000-0003-1563-9408], Torres-Mozas, Ángel [0000-0001-6098-0707], Martín-Santamaría, Sonsoles [0000-0002-7679-0155], Franco-Gonzalez, Juan Felipe, Matamoros-Recio, Alejandra, Torres-Mozas, Ángel, Rodrigo-Lacave, Blanca, and Martín-Santamaría, Sonsoles
- Abstract
AntiMicrobial Resistance (AMR) is a worldwide health emergency. ESKAPE pathogens include the most relevant AMR bacterial families. In particular, Gram-negative bacteria stand out due to their cell envelope complexity which exhibits strong resistance to antimicrobials. A key element for AMR is the chemical structure of lipid A, modulating the physico-chemical properties of the membrane and permeability to antibiotics. Liposomes are used as models of bacterial membrane infective vesicles. In this work, coarse-grained molecular dynamics simulations were used to model liposomes from ESKAPE Gram-negative bacteria (Escherichia coli, Klebsiella pneumoniae, Acinetobacter baumannii, and Pseudomonas aeruginosa). We captured the role of lipid A, cardiolipin and cholesterol on liposome morphology and physico-chemical properties. Additionally, the reported antimicrobial peptides Cecropin B1, JB95, and PTCDA1-kf, were used to unveil their implications on membrane disruption. This study opens a promising starting point to understand molecular keys of bacterial membranes and to promote the discovery of new antimicrobials to overcome AMR.
- Published
- 2022