Journal: Scientific Reports

Article Title: Antimicrobial Peptide Potency is Facilitated by Greater Conformational Flexibility when Binding to Gram-negative Bacterial Inner Membranes

doi: 10.1038/srep37639

Figure Lengend Snippet: Structures were determined by 1 H NOESY NMR spectroscopy in the presence of 100 mM SDS-d 25 and used as the starting structures for the MD simulations. Key residues described in the text are shown for magainin 2 ( A ) and pleurocidin ( B ).

Article Snippet: Magainin 2 (GIGKFLHSAKKFGKAFVGEIMNS-NH 2 ) and pleurocidin (GWGSFFKKAAHVGKHVGKAALTHYL-NH 2 ) were purchased from Pepceuticals Ltd (Nottingham, UK) as desalted grade.

Techniques: Structural Proteomics

Journal: Scientific Reports

Article Title: Antimicrobial Peptide Potency is Facilitated by Greater Conformational Flexibility when Binding to Gram-negative Bacterial Inner Membranes

doi: 10.1038/srep37639

Figure Lengend Snippet: Dose dependent changes in far-UV CD spectra characterize the secondary structure of magainin 2 ( A , B ) or pleurocidin ( C , D ) in the presence of 5 mM DMPC/DMPG (75:25) ( A , C ) or POPE/POPG (75:25) ( B , D ) - pleurocidin or magainin 2 are present at the indicated molar ratios relative to the combined lipid fractions. Smoothed order parameter profile ( E ) obtained from solid echo 2 H solid-state NMR spectra of multi lamellar vesicles comprising POPE/POPG-d31 (80:20) and 2 mol% pleurocidin or magainin 2 in 20 mM Tris-amine pH 7.3.

Article Snippet: Magainin 2 (GIGKFLHSAKKFGKAFVGEIMNS-NH 2 ) and pleurocidin (GWGSFFKKAAHVGKHVGKAALTHYL-NH 2 ) were purchased from Pepceuticals Ltd (Nottingham, UK) as desalted grade.

Techniques: Circular Dichroism

Journal: Scientific Reports

Article Title: Antimicrobial Peptide Potency is Facilitated by Greater Conformational Flexibility when Binding to Gram-negative Bacterial Inner Membranes

doi: 10.1038/srep37639

Figure Lengend Snippet: Secondary structure analysis of the binding of a single magainin 2 ( A , C ) or pleurocidin ( B , D ) molecule to membranes consisting of 128 POPG and 384 POPE lipids. Ramachandran plots for snapshots obtained at the start and end of 100 ns runs are compared ( C , D ) while phi and psi angles for individual peptide residues are also plotted as a function of time ( A , B ).

Article Snippet: Magainin 2 (GIGKFLHSAKKFGKAFVGEIMNS-NH 2 ) and pleurocidin (GWGSFFKKAAHVGKHVGKAALTHYL-NH 2 ) were purchased from Pepceuticals Ltd (Nottingham, UK) as desalted grade.

Techniques: Binding Assay

Journal: Scientific Reports

Article Title: Antimicrobial Peptide Potency is Facilitated by Greater Conformational Flexibility when Binding to Gram-negative Bacterial Inner Membranes

doi: 10.1038/srep37639

Figure Lengend Snippet: Space-filling models of magainin 2 ( A ) and pleurocidin ( B ) showing representative conformations in the membrane of one of eight peptides in each simulation at 100 ns. The distance (Å) to the upper membrane leaflet phosphate plane of each amino acid in the representative peptide is plotted over 100 ns for magainin 2 ( C ) and pleurocidin ( D ).

Article Snippet: Magainin 2 (GIGKFLHSAKKFGKAFVGEIMNS-NH 2 ) and pleurocidin (GWGSFFKKAAHVGKHVGKAALTHYL-NH 2 ) were purchased from Pepceuticals Ltd (Nottingham, UK) as desalted grade.

Techniques: Membrane

Journal: Scientific Reports

Article Title: Antimicrobial Peptide Potency is Facilitated by Greater Conformational Flexibility when Binding to Gram-negative Bacterial Inner Membranes

doi: 10.1038/srep37639

Figure Lengend Snippet: Side view of the magainin 2 ( A ) and pleurocidin ( C ) four peptide simulations at 100 ns. For clarity, phosphate atoms (gold spheres) are shown for lipids in the top leaflet only. Top view snapshots of simulations for magainin 2 ( B ) and pleurocidin ( D ) of eight peptides in POPE/POPG membranes at 100 ns. The results show clustering of the POPG (green) lipids around the peptides, self-association of magainin 2 as well as a substantial loss of ordered helix conformation for pleurocidin ( B ).

Article Snippet: Magainin 2 (GIGKFLHSAKKFGKAFVGEIMNS-NH 2 ) and pleurocidin (GWGSFFKKAAHVGKHVGKAALTHYL-NH 2 ) were purchased from Pepceuticals Ltd (Nottingham, UK) as desalted grade.

Techniques:

Journal: Scientific Reports

Article Title: Antimicrobial Peptide Potency is Facilitated by Greater Conformational Flexibility when Binding to Gram-negative Bacterial Inner Membranes

doi: 10.1038/srep37639

Figure Lengend Snippet: Average order parameters (last 50 ns) of magainin 2 ( mg ) and pleurocidin ( pl ) eight peptide simulations for all lipids (- all ) or those lipids within 4 Angstroms ( -4 ) of any peptide. Box – 25–75% of data, whisker - ± one standard deviation. Statistical comparisons described in the text satisfy ( p < 0.05) Wilcoxon Signed Ranks Test, Paired Sample t Test and OneWay ANOVA.

Article Snippet: Magainin 2 (GIGKFLHSAKKFGKAFVGEIMNS-NH 2 ) and pleurocidin (GWGSFFKKAAHVGKHVGKAALTHYL-NH 2 ) were purchased from Pepceuticals Ltd (Nottingham, UK) as desalted grade.

Techniques: Whisker Assay, Standard Deviation