October 12, 2025Open Access

Dynamic Architecture of Mycobacterial Outer Membranes Revealed by All-Atom Simulations

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Molecular dynamics simulations reveal outer membrane lipid order in Mycobacterium tuberculosis, suggesting targeted therapeutic strategies.

The outer membrane of Mycobacterium tuberculosis shows ordered inner and disordered outer leaflets, enhancing survival.
Molecular dynamics simulations demonstrate α-mycolic acids' phase transition near 338 K, indicating thermal resilience.
PDIM and PAT lipids cause membrane heterogeneity, which undermines lipid order and antibiotic penetration.
Findings underline unique structural characteristics of the mycobacterial outer membrane compared to Gram-negative bacteria.

Brown et al. (2025) studied this question.

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Molecular dynamics simulations reveal outer membrane lipid order in Mycobacterium tuberculosis, suggesting targeted therapeutic strategies.