Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Associated disease: infection due to Escherichia coli [ICD11:
XN6P4 
]
NCBI PubMed ID: 37144495Publication DOI: 10.1039/d3nr00559cJournal NLM ID: 101525249Publisher: Cambridge, UK: RSC Publishers
Correspondence: G. Milano <giuseppe.milano
unina.it> ; A. Molinaro <antonio.molinaro
unina.it>; C. Montis <costanza.montis
unifi.it>
Institutions: Scuola Superiore Meridionale, Via Largo San Marcellino 10, 80132 Napoli, Italy, Graduate School of Organic Materials Science, Yamagata, University, Jonan 4-3-16, Yonezawa, Yamagata, 992-8510, Japan, Dipartimento di Chimica 'Ugo Schiff', Università degli Studi di Firenze and CSGI, 50019 Firenze, Italy, Department of Chemistry and Biology, University of Salerno, Via Giovanni Paolo II 132, 84084 Fisciano, SA, Italy, Department of Chemical Sciences, University of Napoli Federico II, Complesso Universitario Monte Santangelo, Via Cintia 4, 80126 Napoli, Italy, State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130021, China, University of Naples Federico II, Department of Chemical, Materials and Production Engineering, Piazzale V. Tecchio, 80, 80125 Napoli, Italy
The design of cellular functions in synthetic systems, inspired by the internal partitioning of living cells, is a constantly growing research field that is paving the way to a large number of new remarkable applications. Several hierarchies of internal compartments like polymersomes, liposomes, and membranes are used to control the transport, release, and chemistry of encapsulated species. However, the experimental characterization and the comprehension of glycolipid mesostructures are far from being fully addressed. Lipid A is indeed a glycolipid and the endotoxic part of Gram-negative bacterial lipopolysaccharide; it is the moiety that is recognized by the eukaryotic receptors giving rise to the modulation of innate immunity. Herein we propose, for the first time, a combined approach based on hybrid Particle-Field (hPF) Molecular Dynamics (MD) simulations and Small Angle X-Ray Scattering (SAXS) experiments to gain a molecular picture of the complex supramolecular structures of lipopolysaccharide (LPS) and lipid A at low hydration levels. The mutual support of data from simulations and experiments allowed the unprecedented discovery of the presence of a nano-compartmentalized phase composed of liposomes of variable size and shape which can be used in synthetic biological applications.
bacteria, glycolipids, hPF-MD simulations, SAXS
Structure type: oligomer
Location inside paper: Fig. S1, Fig. 2(B)
Compound class: lipid A
Contained glycoepitopes: IEDB_135394,IEDB_135515,IEDB_141807,IEDB_151531,IEDB_176772
Methods: SAXS, hPF-MD simulations, computation with OCCAM
Related record ID(s): 22365
NCBI Taxonomy refs (TaxIDs): 562
Show glycosyltransferases
There is only one chemically distinct structure:
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