Interaction of phenothiazine compounds with zwitterionic lysophosphatidylcholine micelles: Small angle X-ray scattering, electron absorption spectroscopy, and theoretical calculations

Article Abstract:

The interaction of the phenothiazine cationic compounds trifluoperazine (TFP) and chloropromazine (CPZ) with micelles of the zwitterionic surfactant L-alpha-lysophosphatidylcholine (LPC), at pHs 4.0 and 7.0, are studied by using small-angle X-ray scattering (SAXS). The dipole moment in LPC is almost perpendicular to the methylene chain, while a significant contribution along the methylene occurs for HPS, and evidence is presented for extensive delocalization of the charges in the headgroups, which might be relevant for the binding of the drugs.

Structure, Phenothiazine, Phenothiazines, Zwitterions

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Molecular bottle brushes in a solution of semiflexible polyelectrolytes and block copolymers with an oppositely charged block: A molecular dynamics simulation

Article Abstract:

A coarse-grained model is used to perform molecular dynamics simulations of the electrostatically driven self-assembly of strongly charged polyelectrodes and diblock copolymers of oppositely charged and neutral blocks. It is shown that stable ionic micelles are formed in the form of extended cylindrical brushes due to electrostatic interaction and the orientational ordering of anisotropic ionic micelles has taken place at a sufficiently high concentration.

Block copolymers

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Molecular dynamics simulations of the helical antimicrobial peptide ovispirin-1 in a zwitterionic dodecylphosphocholine micelle: Insights into host-cell toxicity

Article Abstract:

Molecular dynamics simulations of the helical antimicrobial peptide ovispirin-1 in a zwitterionic dodecylphosphocholine (DPC) micelle are carried out. The DPC micelle serves as an economical and effective model for a cellular membrane, owing to the presence of a choline headgroup, which resembles those of membrane phospholipids.

Electric properties, Peptides

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