Abstract：
:In this work we have studied the interaction of zervamicin IIB (ZrvIIB) with the model membranes of eukaryotes and prokaryotes using all-atom molecular dynamics. In all our simulations zervamicin molecule interacted only with lipid headgroups but did not penetrate the hydrophobic core of the bilayers. During the interaction with the prokaryotic membrane zervamicin placed by its N-termini towards the lipids and rotated at an angle of 40° relatively to the bilayer surface. In the case of eukaryotic membrane zervamicin stayed in the water and located parallel to the membrane surface. We compared hydrogen bonds between peptide and lipids and concluded that interactions of ZrvIIB with prokaryotic membrane are stronger than those with eukaryotic one. Also it was shown that two zervamicin molecules formed dimer and penetrated deeper in the area of lipid headgroups.
journal_name
Comput Biol Chemjournal_title
Computational biology and chemistryauthors
Levtsova OV,Antonov MY,Naumenkova TV,Sokolova OSdoi
10.1016/j.compbiolchem.2010.12.005subject
Has Abstractpub_date
2011-02-01 00:00:00pages
34-9issue
1eissn
1476-9271issn
1476-928Xpii
S1476-9271(11)00004-1journal_volume
35pub_type
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