Studying the role of staphyloxanthin in modulating membrane structural parameters in DMPG and DPPG lipid bilayers

Molecular dynamics provide a way of studying the dynamics of lipid bilayers with atomistic resolution. This has enabled biophysicist to explore atomic effects and give more detailed explanations to phenomena seen in laboratories. In recent years, a particular topic relating Staphylococcus aureus and...

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Autores:
Meléndez Delgado, Julián Andrés
Tipo de recurso:
Trabajo de grado de pregrado
Fecha de publicación:
2018
Institución:
Universidad de los Andes
Repositorio:
Séneca: repositorio Uniandes
Idioma:
eng
OAI Identifier:
oai:repositorio.uniandes.edu.co:1992/39148
Acceso en línea:
http://hdl.handle.net/1992/39148
Palabra clave:
Membranas celulares
Carotenoides
Biofísica
Física
Rights
openAccess
License
http://creativecommons.org/licenses/by-nc-sa/4.0/
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dc.title.es_CO.fl_str_mv Studying the role of staphyloxanthin in modulating membrane structural parameters in DMPG and DPPG lipid bilayers
title Studying the role of staphyloxanthin in modulating membrane structural parameters in DMPG and DPPG lipid bilayers
spellingShingle Studying the role of staphyloxanthin in modulating membrane structural parameters in DMPG and DPPG lipid bilayers
Membranas celulares
Carotenoides
Biofísica
Física
title_short Studying the role of staphyloxanthin in modulating membrane structural parameters in DMPG and DPPG lipid bilayers
title_full Studying the role of staphyloxanthin in modulating membrane structural parameters in DMPG and DPPG lipid bilayers
title_fullStr Studying the role of staphyloxanthin in modulating membrane structural parameters in DMPG and DPPG lipid bilayers
title_full_unstemmed Studying the role of staphyloxanthin in modulating membrane structural parameters in DMPG and DPPG lipid bilayers
title_sort Studying the role of staphyloxanthin in modulating membrane structural parameters in DMPG and DPPG lipid bilayers
dc.creator.fl_str_mv Meléndez Delgado, Julián Andrés
dc.contributor.advisor.none.fl_str_mv Leidy, Chad
Aponte Santamaría, Camilo Andrés
dc.contributor.author.none.fl_str_mv Meléndez Delgado, Julián Andrés
dc.contributor.jury.none.fl_str_mv Miscione, Gian Pietro
dc.subject.keyword.es_CO.fl_str_mv Membranas celulares
Carotenoides
Biofísica
topic Membranas celulares
Carotenoides
Biofísica
Física
dc.subject.themes.none.fl_str_mv Física
description Molecular dynamics provide a way of studying the dynamics of lipid bilayers with atomistic resolution. This has enabled biophysicist to explore atomic effects and give more detailed explanations to phenomena seen in laboratories. In recent years, a particular topic relating Staphylococcus aureus and resistance to cationic amphiphilic drugs has been the main priority of various research groups. Staphyloxanthin a membrane-bound carotenoid produced by Staphylococcus aureus appears to change mechanical properties of the bacterial membrane and thus impeding the normal interaction of antibiotics that target the membrane. Although it is known that a high concentration of staphyloxanthin increases membrane rigidity, the exact mechanism to this phenomena is not fully understood. In this thesis, we investigate the effect of staphyloxanthin in two single component lipid model membranes composed of 1,2-Dimyristoyl-phosphatidyl-glycerol (DMPG) and 1,2-Dipalmitoyl-phosphatidyl-glycerol (DPPG). We explore the membrane fluidity by assessing the order parameter of the acyl chains, the lateral diffusion and the local area per lipid. Surprisingly, we found that the orientation of the carotenoid tail in respect to the membrane normal acquired two drastically different conformations horizontal ({theta} ? 120) and vertical ({theta} ? 120). For the DMPG system the horizontal conformation was sampled for the majority of the simulated time, and for the DPPG system, the sampling of the conformations was distributed in a bimodal manner. For the vertical conformation we observed an increase in the order parameter for both bilayers as well as a decrease in the lateral diffusion coefficient solely for the DPPG bilayer, this showed a direct relationship with the area per lipid. For the horizontal similar changes were observed for the area per lipid and the order parameter.
publishDate 2018
dc.date.issued.none.fl_str_mv 2018
dc.date.accessioned.none.fl_str_mv 2020-06-10T16:04:13Z
dc.date.available.none.fl_str_mv 2020-06-10T16:04:13Z
dc.type.spa.fl_str_mv Trabajo de grado - Pregrado
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dc.identifier.reponame.spa.fl_str_mv reponame:Repositorio Institucional Séneca
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identifier_str_mv u821013.pdf
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dc.format.extent.es_CO.fl_str_mv 64 hojas
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dc.publisher.es_CO.fl_str_mv Universidad de los Andes
dc.publisher.program.es_CO.fl_str_mv Física
dc.publisher.faculty.es_CO.fl_str_mv Facultad de Ciencias
dc.publisher.department.es_CO.fl_str_mv Departamento de Física
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spelling Al consultar y hacer uso de este recurso, está aceptando las condiciones de uso establecidas por los autores.http://creativecommons.org/licenses/by-nc-sa/4.0/info:eu-repo/semantics/openAccesshttp://purl.org/coar/access_right/c_abf2Leidy, Chad2b60d701-94f4-4ef0-8e4c-e38fc520e479500Aponte Santamaría, Camilo Andrés7f1b5e9e-4282-4188-8ca5-af3c1641b3e5500Meléndez Delgado, Julián Andrés1bdb1577-4aa3-4dcc-8ba6-12fcfd091fb7500Miscione, Gian Pietro2020-06-10T16:04:13Z2020-06-10T16:04:13Z2018http://hdl.handle.net/1992/39148u821013.pdfinstname:Universidad de los Andesreponame:Repositorio Institucional Sénecarepourl:https://repositorio.uniandes.edu.co/Molecular dynamics provide a way of studying the dynamics of lipid bilayers with atomistic resolution. This has enabled biophysicist to explore atomic effects and give more detailed explanations to phenomena seen in laboratories. In recent years, a particular topic relating Staphylococcus aureus and resistance to cationic amphiphilic drugs has been the main priority of various research groups. Staphyloxanthin a membrane-bound carotenoid produced by Staphylococcus aureus appears to change mechanical properties of the bacterial membrane and thus impeding the normal interaction of antibiotics that target the membrane. Although it is known that a high concentration of staphyloxanthin increases membrane rigidity, the exact mechanism to this phenomena is not fully understood. In this thesis, we investigate the effect of staphyloxanthin in two single component lipid model membranes composed of 1,2-Dimyristoyl-phosphatidyl-glycerol (DMPG) and 1,2-Dipalmitoyl-phosphatidyl-glycerol (DPPG). We explore the membrane fluidity by assessing the order parameter of the acyl chains, the lateral diffusion and the local area per lipid. Surprisingly, we found that the orientation of the carotenoid tail in respect to the membrane normal acquired two drastically different conformations horizontal ({theta} ? 120) and vertical ({theta} ? 120). For the DMPG system the horizontal conformation was sampled for the majority of the simulated time, and for the DPPG system, the sampling of the conformations was distributed in a bimodal manner. For the vertical conformation we observed an increase in the order parameter for both bilayers as well as a decrease in the lateral diffusion coefficient solely for the DPPG bilayer, this showed a direct relationship with the area per lipid. For the horizontal similar changes were observed for the area per lipid and the order parameter."La dinámica molecular provee una forma de estudiar la dinámica de bicapas lipídicas con resolución atómica. Esto ha permitido que los biofísicos exploren efectos a nivel atómico y logren dar explicaciones más detalladas a fenómenos que se ven en el laboratorio. Recientemente, múltiples grupos de investigación han tenido como prioridad entender como Staphyloccocus aureus genera resistencia a drogas catiónicas. Una de las posibles explicaciones se basa en estafiloxantina un carotenoide producido por esta bacteria que aparentemente cambia las propiedades mecánicas de la membrana celular por ende impide la interacción regular de los antibióticos dirigidos a la membrana. Es bien sabido que a concentraciones altas de estafiloxantina la membrana de la bacteria adquiere rigidez, el mecanismo exacto que describe este fenómeno no se conoce. En esta tesis, investigamos el efecto de estafiloxantina en dos membranas modelo compuestas de 1,2-Dimyristoyl-phosphatidyl-glycerol (DMPG) y 1,2-Dipalmitoyl-phosphatidyl-glycerol (DPPG) generando trayectorias de dinámica molecular con una molécula de estafiloxantina en el interior. Exploramos la fluidez de la membrana evaluando el parámetro de orden de las cadenas acilo, la difusión lateral y el área por lípido local. Sorprendentemente, se encontró que estafiloxantina adquiere dos conformaciones al interior de la membrana horizontal ({theta} ? 120) y vertical ({theta} ? 120). Para el caso de DPPG se distingue una distribución bimodal. Cuando estafiloxantina está orientada de manera vertical, se observó un incremento en el parámetro de orden en ambas monocapas, de la misma manera se observó una disminución en el coeficiente de difusión únicamente en DPPG, este último parámetro mostro una relación directa con el área por lípido. Resultados similares se observaron en el área por lípido y el parámetro de orden para el caso horizontal."--Tomado del Formato de Documento de Grado.FísicoPregrado64 hojasapplication/pdfengUniversidad de los AndesFísicaFacultad de CienciasDepartamento de Físicainstname:Universidad de los Andesreponame:Repositorio Institucional SénecaStudying the role of staphyloxanthin in modulating membrane structural parameters in DMPG and DPPG lipid bilayersTrabajo de grado - Pregradoinfo:eu-repo/semantics/bachelorThesishttp://purl.org/coar/resource_type/c_7a1fhttp://purl.org/coar/version/c_970fb48d4fbd8a85Texthttp://purl.org/redcol/resource_type/TPMembranas celularesCarotenoidesBiofísicaFísicaPublicationORIGINALu821013.pdfapplication/pdf34895228https://repositorio.uniandes.edu.co/bitstreams/5bdfdc9f-1492-4507-acc1-a91aa175ec39/download1c52954cc782d8fb64e55ad8667bc701MD51TEXTu821013.pdf.txtu821013.pdf.txtExtracted texttext/plain110619https://repositorio.uniandes.edu.co/bitstreams/eabb4589-41a5-4d8e-ac48-fbda94c7a51c/download60ae1e92dd05cec25a0d9e84c794cd7cMD54THUMBNAILu821013.pdf.jpgu821013.pdf.jpgIM Thumbnailimage/jpeg8459https://repositorio.uniandes.edu.co/bitstreams/62709e12-c380-4bee-8456-edfeca1795e5/download33d68f1669cbef829354c314bdd22eeeMD551992/39148oai:repositorio.uniandes.edu.co:1992/391482023-10-10 16:52:04.864http://creativecommons.org/licenses/by-nc-sa/4.0/open.accesshttps://repositorio.uniandes.edu.coRepositorio institucional Sénecaadminrepositorio@uniandes.edu.co