Journal: Virulence
Article Title: Antibacterial efficacy and mechanism of the novel antimicrobial peptide lachnospirin-1 against Acinetobacter baumannii
doi: 10.1080/21505594.2026.2646808
Figure Lengend Snippet: Lachnospirin-1 can specifically bind to LPS to target bacterial cell membrane. (A) Molecular dynamics simulation diagrams of lachnospirin-1 interacting with cell membranes. The upper diagram shows bacterial membranes, and the lower diagram shows mammalian membranes. From left to right: simulation initiation, membrane attachment, membrane penetration, and the equilibrium state of lachnospirin-1 interacting with the cell membrane. (B) Energy analysis during molecular dynamics simulation. The upper left panel shows the van der Waals interaction energy between the antimicrobial peptide and the cell membrane; the upper right panel shows the electrostatic interaction energy (coulomb) between the antimicrobial peptide and the cell membrane; the lower left panel shows the binding free energy between the antimicrobial peptide and the cell membrane; the lower right panel shows the binding free energy contribution of amino acid residues of the antimicrobial peptide in the mixed cell membrane system of DOPC and DOPG. Membrane1 refers to the mixed cell membrane system of DOPC and DOPG; Membrane2 refers to the mixed cell membrane system of POPC and Cholesterol. (C) Details of the interaction between the amp and the mixed cell membrane of DOPC and DOPG during molecular dynamics simulation. (D) Detection of bacterial cell membrane permeability after lachnospirin-1 treatment using NPN probe. (E) Competitive inhibition experiment of lachnospirin-1 with cell membrane components POPC, POPG, and cl. (F) Schematic diagram of the interaction structure between LPS and lachnospirin-1. Blue sticks represent lachnospirin-1 residues; magenta sticks represent LPS molecules; green dashed lines represent hydrogen bond interactions; light green dashed lines represent C-H bond interactions; red dashed lines represent electrostatic interactions; orange dashed lines represent salt bridge interactions; blue dashed lines represent hydrophobic interactions. (G) Detection of the binding affinity between lachnospirin-1 and LPS by ITC.
Article Snippet: Lachnospirin-1 can specifically bind to LPS to target bacterial cell membrane. (A) Molecular dynamics simulation diagrams of lachnospirin-1 interacting with cell membranes.
Techniques: Membrane, Binding Assay, Permeability, Inhibition
