About: A simple molecular modeling method for the characterization of polymeric drug carriers

Facets (new session)
Description
Metadata
Settings
- owl:sameAs
- Inference Rule:

About: A simple molecular modeling method for the characterization of polymeric drug carriers Goto Sponge NotDistinct Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

Attributes	Values
rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
rdfs:seeAlso	http://www.sciencedirect.com/science/article/pii/S092809871200468X
Description	A simple molecular modeling method for the characterization of polymeric drug carriers is presented. Six biodegradable polymers have been investigated as drug carriers using molecular simulations: l-polylactide, d-polylactide, chitosan, polyglycolic acid, polyethylene glycol and cellulose. Cyclosporine A has been chosen as a model drug substance. Classical molecular dynamics and docking calculations were employed to model and predict polymer-drug interactions. These interactions have been analyzed by non-bond interaction energy and interaction parameter calculated using Flory-Huggins theory. Flexibility of polymer chains has been characterized by the change of gyration radius along the molecular dynamics trajectory. The relationship between mixing energy, chain length and chain flexibility has been revealed for each polymer/drug system. A simple molecular modeling method for the characterization of polymeric drug carriers is presented. Six biodegradable polymers have been investigated as drug carriers using molecular simulations: l-polylactide, d-polylactide, chitosan, polyglycolic acid, polyethylene glycol and cellulose. Cyclosporine A has been chosen as a model drug substance. Classical molecular dynamics and docking calculations were employed to model and predict polymer-drug interactions. These interactions have been analyzed by non-bond interaction energy and interaction parameter calculated using Flory-Huggins theory. Flexibility of polymer chains has been characterized by the change of gyration radius along the molecular dynamics trajectory. The relationship between mixing energy, chain length and chain flexibility has been revealed for each polymer/drug system. (en)
Title	A simple molecular modeling method for the characterization of polymeric drug carriers A simple molecular modeling method for the characterization of polymeric drug carriers (en)
skos:prefLabel	A simple molecular modeling method for the characterization of polymeric drug carriers A simple molecular modeling method for the characterization of polymeric drug carriers (en)
skos:notation	RIV/44555601:13440/13:43884924!RIV14-MSM-13440___
http://linked.open...avai/predkladatel	Přírodovědecká fakulta
http://linked.open...avai/riv/aktivita	I P S
http://linked.open...avai/riv/aktivity	I, P(ED1.1.00/02.0070), S
http://linked.open...iv/cisloPeriodika	1-2
http://linked.open...vai/riv/dodaniDat	2014
http://linked.open...aciTvurceVysledku	Čapková, Pavla
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Univerzita Jana Evangelisty Purkyně v Ústí nad Labem / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	59066
http://linked.open...ai/riv/idVysledku	RIV/44555601:13440/13:43884924
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Structure; Molecular modeling; Cyclosporine A; Biodegradable polymer (en)
http://linked.open.../riv/klicoveSlovo	Biodegradable polymer Cyclosporine A Molecular modeling Structure
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[D0EF2FCFE8FB]
http://linked.open...i/riv/nazevZdroje	European Journal of Pharmaceutical Sciences
http://linked.open...in/vavai/riv/obor	FR
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	IT4Innovations Centre of Excellence
http://linked.open...UplatneniVysledku	2013
http://linked.open...v/svazekPeriodika	48
http://linked.open...iv/tvurceVysledku	Čapková, Pavla Macháčková, M. Tokarský, J.
http://linked.open...ain/vavai/riv/wos	000315613500035
issn	0928-0987
number of pages	7 (xsd:int)
http://bibframe.org/vocab/doi	10.1016/j.ejps.2012.11.010
http://localhost/t...ganizacniJednotka	13440

Faceted Search & Find service v1.16.116 as of Feb 22 2024

Alternative Linked Data Documents: ODE Content Formats:

RDF

ODATA

Microdata

About

OpenLink Virtuoso version 07.20.3239 as of Feb 22 2024, on Linux (x86_64-pc-linux-gnu), Single-Server Edition (126 GB total memory, 80 GB memory in use)
Data on this page belongs to its respective rights holders.
Virtuoso Faceted Browser Copyright © 2009-2024 OpenLink Software