Molecular Dynamics Simulations to Study Drug Delivery Systems

Autores
Albano, Juan Manuel Ricardo; de Paula, Eneida; Pickholz, Mónica Andrea
Año de publicación
2019
Idioma
inglés
Tipo de recurso
parte de libro
Estado
versión publicada
Descripción
Molecular dynamics simulation is a very powerful tool to understand biomolecular processes. In this chapter, we go over different applications of this methodology to drug delivery systems (DDS) carried out in the group. DDS—a formulation or a device that enables the introduction of a therapeutic substance in the body and improves its efficacy and safety by controlling the rate, time, and place of release of drugs—are an important component of drug development and therapeutics. Biocompatible nanoparticles are materials in the nanoscale that emerged as important players, improving efficacy of approved drugs, for example. The molecular understanding of the encapsulation process could be very helpful to guide the nanocarrier for a specific system. Here we discuss different applications of drug delivery carriers, such as liposomes, polymeric micelles, and polymersomes using atomistic and coarse grain (CG) molecular dynamics simulations.
Fil: Albano, Juan Manuel Ricardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; Argentina
Fil: de Paula, Eneida. No especifíca;
Fil: Pickholz, Mónica Andrea. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; Argentina
Materia
MOLECULAR DYNAMICS
DRUG DELIVERY SYSTEMS
LOCAL ANESTHETIC
COARSE GRAIN
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/148580
Acceder
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spelling Molecular Dynamics Simulations to Study Drug Delivery SystemsAlbano, Juan Manuel Ricardode Paula, EneidaPickholz, Mónica AndreaMOLECULAR DYNAMICSDRUG DELIVERY SYSTEMSLOCAL ANESTHETICCOARSE GRAINhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1Molecular dynamics simulation is a very powerful tool to understand biomolecular processes. In this chapter, we go over different applications of this methodology to drug delivery systems (DDS) carried out in the group. DDS—a formulation or a device that enables the introduction of a therapeutic substance in the body and improves its efficacy and safety by controlling the rate, time, and place of release of drugs—are an important component of drug development and therapeutics. Biocompatible nanoparticles are materials in the nanoscale that emerged as important players, improving efficacy of approved drugs, for example. The molecular understanding of the encapsulation process could be very helpful to guide the nanocarrier for a specific system. Here we discuss different applications of drug delivery carriers, such as liposomes, polymeric micelles, and polymersomes using atomistic and coarse grain (CG) molecular dynamics simulations.Fil: Albano, Juan Manuel Ricardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; ArgentinaFil: de Paula, Eneida. No especifíca;Fil: Pickholz, Mónica Andrea. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; ArgentinaIntechOpenVakhrushev, Alexander V.2019info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/bookParthttp://purl.org/coar/resource_type/c_3248info:ar-repo/semantics/parteDeLibroapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/148580Albano, Juan Manuel Ricardo; de Paula, Eneida; Pickholz, Mónica Andrea; Molecular Dynamics Simulations to Study Drug Delivery Systems; IntechOpen; 2019; 1-18978-1-78923-525-8CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.intechopen.com/chapters/60907info:eu-repo/semantics/altIdentifier/doi/10.5772/intechopen.75748info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-10T13:01:12Zoai:ri.conicet.gov.ar:11336/148580instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-10 13:01:12.469CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Molecular Dynamics Simulations to Study Drug Delivery Systems
title Molecular Dynamics Simulations to Study Drug Delivery Systems
spellingShingle Molecular Dynamics Simulations to Study Drug Delivery Systems
Albano, Juan Manuel Ricardo
MOLECULAR DYNAMICS
DRUG DELIVERY SYSTEMS
LOCAL ANESTHETIC
COARSE GRAIN
title_short Molecular Dynamics Simulations to Study Drug Delivery Systems
title_full Molecular Dynamics Simulations to Study Drug Delivery Systems
title_fullStr Molecular Dynamics Simulations to Study Drug Delivery Systems
title_full_unstemmed Molecular Dynamics Simulations to Study Drug Delivery Systems
title_sort Molecular Dynamics Simulations to Study Drug Delivery Systems
dc.creator.none.fl_str_mv Albano, Juan Manuel Ricardo
de Paula, Eneida
Pickholz, Mónica Andrea
author Albano, Juan Manuel Ricardo
author_facet Albano, Juan Manuel Ricardo
de Paula, Eneida
Pickholz, Mónica Andrea
author_role author
author2 de Paula, Eneida
Pickholz, Mónica Andrea
author2_role author
author
dc.contributor.none.fl_str_mv Vakhrushev, Alexander V.
dc.subject.none.fl_str_mv MOLECULAR DYNAMICS
DRUG DELIVERY SYSTEMS
LOCAL ANESTHETIC
COARSE GRAIN
topic MOLECULAR DYNAMICS
DRUG DELIVERY SYSTEMS
LOCAL ANESTHETIC
COARSE GRAIN
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Molecular dynamics simulation is a very powerful tool to understand biomolecular processes. In this chapter, we go over different applications of this methodology to drug delivery systems (DDS) carried out in the group. DDS—a formulation or a device that enables the introduction of a therapeutic substance in the body and improves its efficacy and safety by controlling the rate, time, and place of release of drugs—are an important component of drug development and therapeutics. Biocompatible nanoparticles are materials in the nanoscale that emerged as important players, improving efficacy of approved drugs, for example. The molecular understanding of the encapsulation process could be very helpful to guide the nanocarrier for a specific system. Here we discuss different applications of drug delivery carriers, such as liposomes, polymeric micelles, and polymersomes using atomistic and coarse grain (CG) molecular dynamics simulations.
Fil: Albano, Juan Manuel Ricardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; Argentina
Fil: de Paula, Eneida. No especifíca;
Fil: Pickholz, Mónica Andrea. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; Argentina
description Molecular dynamics simulation is a very powerful tool to understand biomolecular processes. In this chapter, we go over different applications of this methodology to drug delivery systems (DDS) carried out in the group. DDS—a formulation or a device that enables the introduction of a therapeutic substance in the body and improves its efficacy and safety by controlling the rate, time, and place of release of drugs—are an important component of drug development and therapeutics. Biocompatible nanoparticles are materials in the nanoscale that emerged as important players, improving efficacy of approved drugs, for example. The molecular understanding of the encapsulation process could be very helpful to guide the nanocarrier for a specific system. Here we discuss different applications of drug delivery carriers, such as liposomes, polymeric micelles, and polymersomes using atomistic and coarse grain (CG) molecular dynamics simulations.
publishDate 2019
dc.date.none.fl_str_mv 2019
dc.type.none.fl_str_mv info:eu-repo/semantics/publishedVersion
info:eu-repo/semantics/bookPart
http://purl.org/coar/resource_type/c_3248
info:ar-repo/semantics/parteDeLibro
status_str publishedVersion
format bookPart
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/148580
Albano, Juan Manuel Ricardo; de Paula, Eneida; Pickholz, Mónica Andrea; Molecular Dynamics Simulations to Study Drug Delivery Systems; IntechOpen; 2019; 1-18
978-1-78923-525-8
CONICET Digital
CONICET
url http://hdl.handle.net/11336/148580
identifier_str_mv Albano, Juan Manuel Ricardo; de Paula, Eneida; Pickholz, Mónica Andrea; Molecular Dynamics Simulations to Study Drug Delivery Systems; IntechOpen; 2019; 1-18
978-1-78923-525-8
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://www.intechopen.com/chapters/60907
info:eu-repo/semantics/altIdentifier/doi/10.5772/intechopen.75748
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv IntechOpen
publisher.none.fl_str_mv IntechOpen
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 12.48226

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