Atomistic modeling of lysophospholipids from the Campylobacter jejuni lipidome.

ABSTRACT: Lysophospholipids are an important class of lipids in both prokaryotic and eukaryotic organisms. These lipids typically constitute a very small proportion (<1%) of the bacterial lipidome but can constitute 20%-45% of the Campylobacter jejuni lipidome under stress conditions. It is thus of importance to include these lipids in model C. jejuni membrane simulations for an accurate representation of the lipidic complexity of these systems. Here, we present atomistic models for four lysophospholipids from the C. jejuni lipidome, each derived from existing phospholipid models. Herein, we use molecular dynamics simulations to evaluate the ability of these models to reproduce the expected micellar, hexagonal, and lamellar phases at varying levels of hydration. Mixtures of phospholipids and lysopho

SUBMITTER: Brandner AF 

PROVIDER: S-EPMC12709257 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature