Insight from Molecular dynamic simulation of reactive oxygen species in oxidized skin membrane
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Kumar, Surendra | - |
dc.contributor.author | Yadav, Dharmendra Kumar | - |
dc.contributor.author | Choi, Eun-Ha | - |
dc.contributor.author | Kim, Mi-Hyun | - |
dc.date.available | 2020-02-27T09:41:23Z | - |
dc.date.created | 2020-02-06 | - |
dc.date.issued | 2018-09-05 | - |
dc.identifier.issn | 2045-2322 | - |
dc.identifier.uri | https://scholarworks.bwise.kr/gachon/handle/2020.sw.gachon/3320 | - |
dc.description.abstract | Non-enzymatic lipid peroxidation of the skin-lipid bilayer causes perturbations that affect the biomembrane structure, function, and permeability of reactive oxygen species (ROS). In the present study, we employed molecular dynamics simulations to study the effect of lipid peroxidation on the bilayer structural properties and permeability of various ROS. The oxidized skin-lipid bilayer was composed of ceramide, cholesterol, free fatty acid, and 5 alpha-hydroperoxycholesterol (5 alpha-CH). The simulation showed that, upon oxidation, the oxidized group (-OOH) of 5 alpha-CH migrates towards the aqueous phase and the backbone of 5 alpha-CH tilts, which causes the membrane to expand laterally. Measurements of the permeability of all ROS along the oxidized skin-lipid bilayer revealed a decreased breaching barrier for all the species as the degree of peroxidation increased, with a resulting easy passage across the membrane. The insights from the simulations indicate that lipid peroxidation might perturb the membrane barrier, thereby inflicting oxidative stress that leads to apoptosis. This study helps to understand oxidative stress at the atomic level. To our knowledge, this is the first reported molecular dynamics simulation study on oxidized skin-lipid bilayer and permeability of ROS. | - |
dc.language | 영어 | - |
dc.language.iso | en | - |
dc.publisher | NATURE PUBLISHING GROUP | - |
dc.relation.isPartOf | SCIENTIFIC REPORTS | - |
dc.subject | CATALYZED LIPID-PEROXIDATION | - |
dc.subject | STRATUM-CORNEUM | - |
dc.subject | SINGLET OXYGEN | - |
dc.subject | PHOSPHOLIPID-BILAYERS | - |
dc.subject | BARRIER FUNCTION | - |
dc.subject | HYDROGEN-PEROXIDE | - |
dc.subject | EFFECTOR ACTION | - |
dc.subject | CHOLESTEROL | - |
dc.subject | GROMACS | - |
dc.subject | CHROMATOGRAPHY | - |
dc.title | Insight from Molecular dynamic simulation of reactive oxygen species in oxidized skin membrane | - |
dc.type | Article | - |
dc.type.rims | ART | - |
dc.description.journalClass | 1 | - |
dc.identifier.wosid | 000443745700053 | - |
dc.identifier.doi | 10.1038/s41598-018-31609-w | - |
dc.identifier.bibliographicCitation | SCIENTIFIC REPORTS, v.8 | - |
dc.identifier.scopusid | 2-s2.0-85053014763 | - |
dc.citation.title | SCIENTIFIC REPORTS | - |
dc.citation.volume | 8 | - |
dc.contributor.affiliatedAuthor | Kumar, Surendra | - |
dc.contributor.affiliatedAuthor | Yadav, Dharmendra Kumar | - |
dc.contributor.affiliatedAuthor | Kim, Mi-Hyun | - |
dc.type.docType | Article | - |
dc.subject.keywordPlus | CATALYZED LIPID-PEROXIDATION | - |
dc.subject.keywordPlus | STRATUM-CORNEUM | - |
dc.subject.keywordPlus | SINGLET OXYGEN | - |
dc.subject.keywordPlus | PHOSPHOLIPID-BILAYERS | - |
dc.subject.keywordPlus | BARRIER FUNCTION | - |
dc.subject.keywordPlus | HYDROGEN-PEROXIDE | - |
dc.subject.keywordPlus | EFFECTOR ACTION | - |
dc.subject.keywordPlus | CHOLESTEROL | - |
dc.subject.keywordPlus | GROMACS | - |
dc.subject.keywordPlus | CHROMATOGRAPHY | - |
dc.relation.journalResearchArea | Science & Technology - Other Topics | - |
dc.relation.journalWebOfScienceCategory | Multidisciplinary Sciences | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
Items in ScholarWorks are protected by copyright, with all rights reserved, unless otherwise indicated.
1342, Seongnam-daero, Sujeong-gu, Seongnam-si, Gyeonggi-do, Republic of Korea(13120)031-750-5114
COPYRIGHT 2020 Gachon University All Rights Reserved.
Certain data included herein are derived from the © Web of Science of Clarivate Analytics. All rights reserved.
You may not copy or re-distribute this material in whole or in part without the prior written consent of Clarivate Analytics.