alzheimer’s disease (ad) popc cell membrane amyloid beta (aβ) hydroxypropyl beta-cyclodextrin (hpbcd)  (Molecular Dynamics Inc)

Journal: BBA Advances

Article Title: Natamycin interferes with ergosterol-dependent lipid phases in model membranes

doi: 10.1016/j.bbadva.2023.100102

Figure Lengend Snippet: Autocorrelation analysis of sterol tilt dynamics in POPC membranes, Autocorrelation functions of the sterol tilt angles in membranes in the presence and absence of natamycin were fitted with a stretched exponential function, as described in Materials and methods. Both, the time-averaged and ensemble-averaged correlation times were determined.

Article Snippet: Molecular dynamics (MD) trajectories of pure POPC membranes, POPC/cholesterol (70:30), and POPC/ergosterol (70:30) were obtained from our previous study .

Techniques:

Journal: BBA Advances

Article Title: Natamycin interferes with ergosterol-dependent lipid phases in model membranes

doi: 10.1016/j.bbadva.2023.100102

Figure Lengend Snippet: Lateral diffusion of cholesterol and ergosterol in POPC membranes, Lateral diffusion of cholesterol and ergosterol in membranes in the presence and absence of natamycin were calculated as described in Materials and methods.

Article Snippet: Molecular dynamics (MD) trajectories of pure POPC membranes, POPC/cholesterol (70:30), and POPC/ergosterol (70:30) were obtained from our previous study .

Techniques: Diffusion-based Assay

Journal: Membranes

Article Title: Effects of the RNA-Polymerase Inhibitors Remdesivir and Favipiravir on the Structure of Lipid Bilayers—An MD Study

doi: 10.3390/membranes12100941

Figure Lengend Snippet: Position of the center of mass as a function of the simulation time of favipiravir ( left ) and remdesivir ( right ) molecules in a pure POPC ( top ) and POPC:Cholesterol ( bottom ) for both concentration systems with the inhibitor molecules initially in the aqueous phase and lipid phase, as indicated. Regions between phospholipidic polar head groups are shaded in gray. Each different colored line in each plot represents the course of one inhibitory molecule during the simulation time scale of one replica (400 ns simulation production). The other two replicas are presented in the .

Article Snippet: For pure POPC membranes, the presence of either remdesivir or favipiravir does not significantly decrease the order parameter in the middle region of the lipid chains.

Techniques: Concentration Assay

Journal: Membranes

Article Title: Effects of the RNA-Polymerase Inhibitors Remdesivir and Favipiravir on the Structure of Lipid Bilayers—An MD Study

doi: 10.3390/membranes12100941

Figure Lengend Snippet: Identity of the 10 closest molecules to favipiravir and remdesivir throughout the simulations, presented as percentage. Closest water molecules were omitted.

Article Snippet: For pure POPC membranes, the presence of either remdesivir or favipiravir does not significantly decrease the order parameter in the middle region of the lipid chains.

Techniques:

Journal: Membranes

Article Title: Effects of the RNA-Polymerase Inhibitors Remdesivir and Favipiravir on the Structure of Lipid Bilayers—An MD Study

doi: 10.3390/membranes12100941

Figure Lengend Snippet: ( a ) Orientation of favipiravir with respect to the bilayer normal in the POPC ( c ) and POPC:Cholesterol ( d ) membranes. Zero degrees means that the O group points towards hydrophilic heads; ( b ) orientation of the different regions of remdesivir, as defined in . Three different vectors as described in the figure are used for proper description.

Article Snippet: For pure POPC membranes, the presence of either remdesivir or favipiravir does not significantly decrease the order parameter in the middle region of the lipid chains.

Techniques:

Journal: Membranes

Article Title: Effects of the RNA-Polymerase Inhibitors Remdesivir and Favipiravir on the Structure of Lipid Bilayers—An MD Study

doi: 10.3390/membranes12100941

Figure Lengend Snippet: Membrane area per lipid for pure POPC and POPC:Cholesterol models in the presence and absence of remdesivir and favipiravir.

Article Snippet: For pure POPC membranes, the presence of either remdesivir or favipiravir does not significantly decrease the order parameter in the middle region of the lipid chains.

Techniques:

Journal: Membranes

Article Title: Effects of the RNA-Polymerase Inhibitors Remdesivir and Favipiravir on the Structure of Lipid Bilayers—An MD Study

doi: 10.3390/membranes12100941

Figure Lengend Snippet: Order parameter of palmitoyl chain hydrogen in the presence and absence of favipiravir and remdesivir in POPC ( left ) and POPC:Cholesterol ( right ) bilayers, calculated under high concentration of drug molecules.

Article Snippet: For pure POPC membranes, the presence of either remdesivir or favipiravir does not significantly decrease the order parameter in the middle region of the lipid chains.

Techniques: Concentration Assay