A simple molecular modeling method for the characterization of polymeric drug carriers
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27640%2F12%3A86082855" target="_blank" >RIV/61989100:27640/12:86082855 - isvavai.cz</a>
Alternative codes found
RIV/44555601:13440/13:43884924
Result on the web
<a href="http://dx.doi.org/10.1016/j.ejps.2012.11.010" target="_blank" >http://dx.doi.org/10.1016/j.ejps.2012.11.010</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.ejps.2012.11.010" target="_blank" >10.1016/j.ejps.2012.11.010</a>
Alternative languages
Result language
angličtina
Original language name
A simple molecular modeling method for the characterization of polymeric drug carriers
Original language 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.
Czech name
—
Czech description
—
Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
FR - Pharmacology and apothecary chemistry
OECD FORD branch
—
Result continuities
Project
<a href="/en/project/ED1.1.00%2F02.0070" target="_blank" >ED1.1.00/02.0070: IT4Innovations Centre of Excellence</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach
Others
Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
European Journal of Pharmaceutical Sciences
ISSN
0928-0987
e-ISSN
—
Volume of the periodical
1-2
Issue of the periodical within the volume
48
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
7
Pages from-to
316-322
UT code for WoS article
—
EID of the result in the Scopus database
—