Linked Life Data

21126040

Source:http://linkedlifedata.com/resource/pubmed/id/21126040

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
50
pubmed:dateCreated
2010-12-16
pubmed:abstractText
Ion-membrane interactions are essential to the regulation of cell functions. While numerous molecular dynamics (MD) simulations have been carried out to study the effects of ions on neutral lipid bilayers, few have been conducted on anionic lipid bilayers. Moreover, there is a lack of long-time simulations. Here, submicrosecond MD simulations were performed to investigate the effects of pure cations (K(+), Na(+), and Ca(2+), respectively) on the anionic palmitoyloleoylphosphatidylglycerol (POPG) bilayer first. The results reveal how K(+), Na(+), and Ca(2+) ions influence the structure of anionic lipid bilayers. In general, cations tighten the anionic lipid bilayer and increase the ordering of the lipids. Subsequently, two MD simulations were carried out to elucidate the effects of extra cations added to the bilayers in addition to counterions. It is found that the extra Ca(2+) ions result in stronger effects on the structures of the lipid bilayer, whereas extra Na(+) ions do not. Finally, simulations of ion mixture effects on the structure of the POPG bilayer were conducted, and it is observed that Ca(2+), over K(+) and Na(+), plays a dominant role in affecting the bilayer structures. These results may cast new insights on the distinct functions of Ca(2+) in the biological systems. In addition, our simulations indicate that long-time simulations are necessary to address the effects of ions on lipid bilayer structures.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Dec
pubmed:issn
1520-5207
pubmed:author
pubmed:issnType
Electronic
pubmed:day
23
pubmed:volume
114
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
16978-88
pubmed:meshHeading
pubmed:year
2010
pubmed:articleTitle
Effects of Na+, K+, and Ca2+ on the structures of anionic lipid bilayers and biological implication.
pubmed:affiliation
Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zuchongzhi Road, Shanghai 201203, China.
pubmed:publicationType
Journal Article, Research Support, Non-U.S. Gov't