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Accession Number ADA571026
Title Free Energy Difference in Indolicidin Attraction to Eukaryotic and Prokaryotic Model Cell Membranes.
Publication Date Feb 2012
Media Count 11p
Personal Author A. Wallqvist D. R. Ripoll I. Yeh
Abstract We analyzed the thermodynamic and structural determinants of indolicidin interactions with eukaryotic and prokaryotic cell membranes using a series of atomistically detailed molecular dynamics simulations. We used quartzsupported bilayers with two different compositions of zwitterionic and anionic phospholipids as model eukaryotic and prokaryotic cell membranes. Indolicidin was preferentially attracted to the model prokaryotic cell membrane in contrast to the weak adsorption on the eukaryotic membrane. The nature of the indolicidin surface adsorption depended on an electrostatic guiding component, an attractive enthalpic component derived from van der Waals interactions, and a balance between entropic factors related to peptide confinement at the interface and counterion release from the bilayer surface. Thus, whereas we attributed the specificity of the indolicidin/membrane interaction to electrostatics, these interactions were not the sole contributors to the free energy of adsorption. Instead, a balance between an attractive van der Waals enthalpic component and a repulsive entropic component determined the overall strength of indolicidin adsorption.
Keywords Adsorption
Anions
Cells(Biology)
Confinement(General)
Electrostatics
Eukaryotic
Free energy
Membranes(Biology)
Molecular dynamics
Peptides
Phospholipids
Prokaryotic
Structural properties
Thermodynamics


 
Source Agency Non Paid ADAS
NTIS Subject Category 57E - Clinical Medicine
57F - Cytology, Genetics, & Molecular Biology
Corporate Author Army Medical Research and Materiel Command (Provisional), Fort Detrick, MD. Telemedicine and Advanced Tech Research Center.
Document Type Journal article
Title Note Journal article.
NTIS Issue Number 1315
Contract Number N/A

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