Attachment invasion locus (Ail) protein of Yersinia pestis is a crucial outer membrane protein for host invasion and determines bacterial survival within the host. Despite its importance in pathogenicity, surprisingly little is known on Ail biophysical properties. We investigate the contribution of micelle concentrations and interface tryptophans on the Ail β-barrel refolding and unfolding proc...

We have carried out molecular dynamics simulations of the naturally occurring protegrin PG-1 peptide and two of its mutants, PC-9 and PC-13 in the presence of a dodecyl-phosphocholine (DPC) micelle. The effects of mutations that disrupt the β-sheet structure in the case of PC-9 and reduce the charge at the C-terminus in the case of PC-13 are analyzed. It is found that the surface-bound conforma...

filament stretching extensional rheometer and capillary breakup extensional rheometer are used o measure the extensional rheology of a series of wormlike micelle solutions experiencing a niaxial elongational flow. The experiments are performed using a series of wormlike micelle olutions of both cetylpyridinium chloride and sodium salicylate NaSal in an aqueous sodium hloride solution and cetylt...

The elongated shape of linear, worm-like, micelles is among the most common aggregation geometries of amphiphilic molecules in aqueous solutions. The cylindrical body of these uni-dimensional micelles can be regarded as an intermediate packing geometry, of a higher growth dimensionality than that of a spherical micelle and lower than that of a planar bilayer. In all these three canonical struct...

Antimicrobial peptides are highly dynamic entities that acquire structure upon binding to a membrane interface. To better understand the structure and the mechanism for the molecular recognition of dodecylphosphocholine (DPC) micelles by the anticoccidial peptide PW2, we performed molecular dynamics (MD) simulations guided by NMR experimental data, focusing on strategies to explore the transien...

In this contribution, we report studies on the nature of binding of a potent antituberculosis drug, Rifampicin (RF) with a model drug delivery system, sodium dodecyl sulfate (SDS) micelle. Temperature dependent dynamic light scattering (DLS), conductometry, and circular dichroism (CD) spectroscopy have been employed to study the binding interaction of the drug with the micelle. The absorption s...

Many ionic liquids and low molecular weight polar solvents have been reported to support amphiphile self-assembly, with most of these reported for the first time in the last decade. This phenomenon is attributed to the solvophobic effect (analogous to the hydrophobic effect in water). However, to date there has been no systematic study which evaluates micelle formation in a large library of non...

Hyaluronan is a biopolymer suitable as a targeting unit in drug delivery systems according to affinity of hyaluronan to CD-44 receptor of cancer cells. We suppose that hyaluronan, when interacts with cationic surfactant, influences hydration of Stern layer of CTAB which affects fluorescence properties of 1-naphthol. We study excited state proton transfer of 1-naphthol in aqueous solution and in...

Amphotericin B (AmB) and Nystatin (Nys) are the drugs of choice for treatment of systemic and superficial mycotic infections, respectively, with their full clinical potential unrealized due to the lack of high therapeutic index formulations for their solubilized delivery. In the present study, using a coarse-grained (CG) molecular dynamics (MD) simulation approach, we investigated the interacti...