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Using molecular dynamics simulations to elucidate a role for bacterial ceramide
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Subedy, Anushriya. Using molecular dynamics simulations to elucidate a role for bacterial ceramide. Retrieved from https://doi.org/doi:10.7282/t3-bpz3-ys38

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TitleUsing molecular dynamics simulations to elucidate a role for bacterial ceramide
NameSubedy, Anushriya (author); Brannigan, Grace (chair); Lamoureux, Guillaume (member); Rutgers University; Graduate School - Camden
Date Created2021
Other Date2021-10 (degree)
SubjectMicrobiology, Biology, Caulobacter cresentus, Lipopolysaccharide, Molecular Dynamics
Extent1 online resource (iv, 26 pages)
DescriptionSphingolipid synthesis was thought to be rare in Gram-negative bacteria, previously only found in a handful of taxa. We recently discovered ceramides in extit{Caulobacter crescentus} and demonstrated that these lipids play an important role in antibiotic and phage sensitivity. However, the mechanism by which ceramides affect resistance to antimicrobials, as well as their effects on the integrity of the cell membrane is not yet clear. In this study, a coarse-grained molecular dynamics simulation of a prototypical bacterial outer membrane is used to observe changes in the structure of the outer membrane lipids in the presence of ceramides. The outer membrane of a Gram-negative bacteria is asymmetric with an outer leaflet dominated by lipopolysaccharide (LPS). LPS is composed of three domains that extend from the outer membrane: (1)~a membrane-embedded lipid A, (2)~the attached core polysaccharide chain, and (3)~the O-antigen polysaccharide chain. There are two variants of LPS, rough LPS (RLPS) consists of lipid A and the core sugars only, while smooth LPS (SLPS) has additional O-antigen chains. To understand the role of ceramides in outer membrane structure and function, this study considers the ceramide-mediated effects on the clustering and packing of LPS and membrane lipids. Our findings suggest a ceramide concentration mediated effect on LPS packing. The area per lipid increases with increasing ceramide concentration. Additionally, ceramide preferentially interacts with the more disordered domain. Ceramide disrupts the ordered domain while ordering the disordered domains.
NoteM.S.
NoteIncludes bibliographical references
Genretheses
Persistent URLhttps://doi.org/doi:10.7282/t3-bpz3-ys38
LanguageEnglish
CollectionCamden Graduate School Electronic Theses and Dissertations
Organization NameRutgers, The State University of New Jersey
RightsThe author owns the copyright to this work.
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