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How the Antimicrobial Peptides Kill Bacteria: Computational Physics Insights

Published online by Cambridge University Press:  20 August 2015

Licui Chen ,
Lianghui Gao ,
Weihai Fang  and
Leonardo Golubovic
Licui Chen
Affiliation:
College of Chemistry, Beijing Normal University, Beijing 100875, China
Lianghui Gao*
Affiliation:
College of Chemistry, Beijing Normal University, Beijing 100875, China
Weihai Fang
Affiliation:
College of Chemistry, Beijing Normal University, Beijing 100875, China
Leonardo Golubovic
Affiliation:
Physics Department, West Virginia University, Morgantown, West Virginia 26506-6315, USA
*
*Corresponding author.Email:[email protected]
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Abstract

In the present article, coarse grained Dissipative Particle Dynamics simulation with implementation of electrostatic interactions is developed in constant pressure and surface tension ensemble to elucidate how the antimicrobial peptide molecules affect bilayer cell membrane structure and kill bacteria. We find that peptides with different chemical-physical properties exhibit different membrane obstructing mechanisms. Peptide molecules can destroy vital functions of the affected bacteria by translocating across their membranes via worm-holes, or by associating with membrane lipids to form hydrophilic cores trapped inside the hydrophobic domain of the membranes. In the latter model, the affected membranes are strongly buckled, in accord with very recent experimental observations [G. E. Fantner et al., Nat. Nanotech., 5 (2010), pp. 280-285].

Keywords

87.15.-v82.70.Uv87.15.kt87.15.A-Antimicrobial peptidebilayer membranedissipative particle dynamics
Type
Research Article
Information
Communications in Computational Physics , Volume 11 , Issue 3 , March 2012 , pp. 709 - 725
Copyright
Copyright © Global Science Press Limited 2012

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