Modeling Diversity in Structures of Bacterial Outer Membrane Lipids.

摘要: Lipopolysaccharides (LPSs) are vital components of the outer membrane Gram-negative bacteria, and they act as extremely strong stimulators innate immunity in diverse eukaryotic species. The primary immunostimulatory center LPS molecule is lipid A, a disaccharide-bound lipophilic domain. Considering broad diversity bacterial species, there variations A structures their immunogenic potencies. In this work, we model eight commensal or human pathogenic species: Helicobacter pylori, Porphyromonas gingivalis, Bacteroides fragilis, Bordetella pertussis, Chlamydia trachomatis, Campylobacter jejuni, Neisseria meningitidis, Salmonella minnesota. properties these species were characterized compared using molecular simulations. structure–property relationships that emerge from library highlight roles acyl chain lengths, number chains, phosphorylation state, compo...