CHARMM GUI Membrane Builder for oxidized phospholipid membrane modeling and simulation
Copyright © 2024 Elsevier Ltd. All rights reserved..
Oxidative stress leads to the production of oxidized phospholipids (oxPLs) that modulate the biophysical properties of phospholipid monolayers and bilayers. As many immune cells are responsible for surveilling cells and tissues for the presence of oxPLs, oxPL-dependent mechanisms have been suggested as targets for treating chronic kidney disease, atherosclerosis, diabetes, and cancer metastasis. This review details recent experimental and computational studies that characterize oxPLs' behaviors in various monolayers and bilayers. These studies investigate how the tail length and polar functional groups of OxPLs impact membrane properties, how oxidized membranes can be stabilized, and how membrane integrity is generally affected by oxidized lipids. In addition, for oxPL-containing membrane modeling and simulation, CHARMM-GUI Membrane Builder has been extended to support a variety of oxPLs, accelerating the simulation system building process for these biologically relevant lipid bilayers.
| Medienart: |
E-Artikel |
|---|
| Erscheinungsjahr: |
2024 |
|---|---|
| Erschienen: |
2024 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:86 |
|---|---|
| Enthalten in: |
Current opinion in structural biology - 86(2024) vom: 09. Apr., Seite 102813 |
| Sprache: |
Englisch |
|---|
| Beteiligte Personen: |
Brown, Turner P [VerfasserIn] |
|---|
| Links: |
|---|
| Themen: |
Journal Article |
|---|
| Anmerkungen: |
Date Revised 10.04.2024 published: Print-Electronic Citation Status Publisher |
|---|
| doi: |
10.1016/j.sbi.2024.102813 |
|---|
| funding: |
|
|---|---|
| Förderinstitution / Projekttitel: |
|
| PPN (Katalog-ID): |
NLM370883047 |
|---|
| LEADER | 01000naa a22002652 4500 | ||
|---|---|---|---|
| 001 | NLM370883047 | ||
| 003 | DE-627 | ||
| 005 | 20240411233114.0 | ||
| 007 | cr uuu---uuuuu | ||
| 008 | 240411s2024 xx |||||o 00| ||eng c | ||
| 024 | 7 | |a 10.1016/j.sbi.2024.102813 |2 doi | |
| 028 | 5 | 2 | |a pubmed24n1372.xml |
| 035 | |a (DE-627)NLM370883047 | ||
| 035 | |a (NLM)38598982 | ||
| 035 | |a (PII)S0959-440X(24)00040-X | ||
| 040 | |a DE-627 |b ger |c DE-627 |e rakwb | ||
| 041 | |a eng | ||
| 100 | 1 | |a Brown, Turner P |e verfasserin |4 aut | |
| 245 | 1 | 0 | |a CHARMM GUI Membrane Builder for oxidized phospholipid membrane modeling and simulation |
| 264 | 1 | |c 2024 | |
| 336 | |a Text |b txt |2 rdacontent | ||
| 337 | |a ƒaComputermedien |b c |2 rdamedia | ||
| 338 | |a ƒa Online-Ressource |b cr |2 rdacarrier | ||
| 500 | |a Date Revised 10.04.2024 | ||
| 500 | |a published: Print-Electronic | ||
| 500 | |a Citation Status Publisher | ||
| 520 | |a Copyright © 2024 Elsevier Ltd. All rights reserved. | ||
| 520 | |a Oxidative stress leads to the production of oxidized phospholipids (oxPLs) that modulate the biophysical properties of phospholipid monolayers and bilayers. As many immune cells are responsible for surveilling cells and tissues for the presence of oxPLs, oxPL-dependent mechanisms have been suggested as targets for treating chronic kidney disease, atherosclerosis, diabetes, and cancer metastasis. This review details recent experimental and computational studies that characterize oxPLs' behaviors in various monolayers and bilayers. These studies investigate how the tail length and polar functional groups of OxPLs impact membrane properties, how oxidized membranes can be stabilized, and how membrane integrity is generally affected by oxidized lipids. In addition, for oxPL-containing membrane modeling and simulation, CHARMM-GUI Membrane Builder has been extended to support a variety of oxPLs, accelerating the simulation system building process for these biologically relevant lipid bilayers | ||
| 650 | 4 | |a Journal Article | |
| 650 | 4 | |a Review | |
| 650 | 4 | |a Membrane | |
| 650 | 4 | |a Molecular dynamics simulation | |
| 650 | 4 | |a Molecular modeling | |
| 650 | 4 | |a Oxidized phospholipid | |
| 700 | 1 | |a Santa, Dane E |e verfasserin |4 aut | |
| 700 | 1 | |a Berger, Brett A |e verfasserin |4 aut | |
| 700 | 1 | |a Kong, Lingyang |e verfasserin |4 aut | |
| 700 | 1 | |a Wittenberg, Nathan J |e verfasserin |4 aut | |
| 700 | 1 | |a Im, Wonpil |e verfasserin |4 aut | |
| 773 | 0 | 8 | |i Enthalten in |t Current opinion in structural biology |d 1994 |g 86(2024) vom: 09. Apr., Seite 102813 |w (DE-627)NLM075122596 |x 1879-033X |7 nnns |
| 773 | 1 | 8 | |g volume:86 |g year:2024 |g day:09 |g month:04 |g pages:102813 |
| 856 | 4 | 0 | |u http://dx.doi.org/10.1016/j.sbi.2024.102813 |3 Volltext |
| 912 | |a GBV_USEFLAG_A | ||
| 912 | |a GBV_NLM | ||
| 951 | |a AR | ||
| 952 | |d 86 |j 2024 |b 09 |c 04 |h 102813 | ||