Evidence of Strong Guest–Host Interactions in Simvastatin Loaded in Mesoporous Silica MCM-41

Detalhes bibliográficos
Autor(a) principal: Cordeiro, Teresa
Data de Publicação: 2023
Outros Autores: Matos, Inês, Danède, Florence, Sotomayor, João C., Fonseca, Isabel M., Corvo, Marta C., Dionísio, Madalena, Viciosa, María Teresa, Affouard, Frédéric, Correia, Natália T.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/10362/154626
Resumo: co-financed by the ERDF under the PT2020 Partnership Agreement (POCI-01-0145-FEDER—007265). This research was funded by the Interreg 2 Seas program 2014–2020, and co-funded by the European Regional Development Fund (FEDER) under subsidy contract 2S01-059_IMODE and 2S07-033_ Site Drug. This research was funded by the Program PHC PESSOA 2018 project nbr 4340/40868R. This research was funded by National Funds through FCT—Portuguese Foundation for Science and Technology, reference, LA/P/0056/2020, UIDB/50025/2020-2023, and PTNMR (ROTEIRO/0031/2013), co-financed by ERDF through COMPETE 2020, Portugal, POCI and PORL and FCT through PIDDAC (POCI-01-0145-FEDER-007688). Publisher Copyright: © 2023 by the authors.
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spelling Evidence of Strong Guest–Host Interactions in Simvastatin Loaded in Mesoporous Silica MCM-41amorphous statedrug delivery developmentdrug releasedrug-carrier multiple interactionsmolecular mobilitysimvastatinPharmaceutical Scienceco-financed by the ERDF under the PT2020 Partnership Agreement (POCI-01-0145-FEDER—007265). This research was funded by the Interreg 2 Seas program 2014–2020, and co-funded by the European Regional Development Fund (FEDER) under subsidy contract 2S01-059_IMODE and 2S07-033_ Site Drug. This research was funded by the Program PHC PESSOA 2018 project nbr 4340/40868R. This research was funded by National Funds through FCT—Portuguese Foundation for Science and Technology, reference, LA/P/0056/2020, UIDB/50025/2020-2023, and PTNMR (ROTEIRO/0031/2013), co-financed by ERDF through COMPETE 2020, Portugal, POCI and PORL and FCT through PIDDAC (POCI-01-0145-FEDER-007688). Publisher Copyright: © 2023 by the authors.A rational design of drug delivery systems requires in-depth knowledge not only of the drug itself, in terms of physical state and molecular mobility, but also of how it is distributed among a carrier and its interactions with the host matrix. In this context, this work reports the behavior of simvastatin (SIM) loaded in mesoporous silica MCM-41 matrix (average pore diameter ~3.5 nm) accessed by a set of experimental techniques, evidencing that it exists in an amorphous state (X-ray diffraction, ssNMR, ATR-FTIR, and DSC). The most significant fraction of SIM molecules corresponds to a high thermal resistant population, as shown by thermogravimetry, and which interacts strongly with the MCM silanol groups, as revealed by ATR-FTIR analysis. These findings are supported by Molecular Dynamics (MD) simulations predicting that SIM molecules anchor to the inner pore wall through multiple hydrogen bonds. This anchored molecular fraction lacks a calorimetric and dielectric signature corresponding to a dynamically rigid population. Furthermore, differential scanning calorimetry showed a weak glass transition that is shifted to lower temperatures compared to bulk amorphous SIM. This accelerated molecular population is coherent with an in-pore fraction of molecules distinct from bulklike SIM, as highlighted by MD simulations. MCM-41 loading proved to be a suitable strategy for a long-term stabilization (at least three years) of simvastatin in the amorphous form, whose unanchored population releases at a much higher rate compared to the crystalline drug dissolution. Oppositely, the surface-attached molecules are kept entrapped inside pores even after long-term release assays.LAQV@REQUIMTEDQ - Departamento de QuímicaDCM - Departamento de Ciência dos MateriaisCENIMAT-i3N - Centro de Investigação de Materiais (Lab. Associado I3N)RUNCordeiro, TeresaMatos, InêsDanède, FlorenceSotomayor, João C.Fonseca, Isabel M.Corvo, Marta C.Dionísio, MadalenaViciosa, María TeresaAffouard, FrédéricCorreia, Natália T.2023-06-29T22:17:43Z2023-04-222023-04-22T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article28application/pdfhttp://hdl.handle.net/10362/154626eng1999-4923PURE: 64822664https://doi.org/10.3390/pharmaceutics15051320info:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2024-03-11T05:37:07Zoai:run.unl.pt:10362/154626Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-20T03:55:42.376836Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse
dc.title.none.fl_str_mv Evidence of Strong Guest–Host Interactions in Simvastatin Loaded in Mesoporous Silica MCM-41
title Evidence of Strong Guest–Host Interactions in Simvastatin Loaded in Mesoporous Silica MCM-41
spellingShingle Evidence of Strong Guest–Host Interactions in Simvastatin Loaded in Mesoporous Silica MCM-41
Cordeiro, Teresa
amorphous state
drug delivery development
drug release
drug-carrier multiple interactions
molecular mobility
simvastatin
Pharmaceutical Science
title_short Evidence of Strong Guest–Host Interactions in Simvastatin Loaded in Mesoporous Silica MCM-41
title_full Evidence of Strong Guest–Host Interactions in Simvastatin Loaded in Mesoporous Silica MCM-41
title_fullStr Evidence of Strong Guest–Host Interactions in Simvastatin Loaded in Mesoporous Silica MCM-41
title_full_unstemmed Evidence of Strong Guest–Host Interactions in Simvastatin Loaded in Mesoporous Silica MCM-41
title_sort Evidence of Strong Guest–Host Interactions in Simvastatin Loaded in Mesoporous Silica MCM-41
author Cordeiro, Teresa
author_facet Cordeiro, Teresa
Matos, Inês
Danède, Florence
Sotomayor, João C.
Fonseca, Isabel M.
Corvo, Marta C.
Dionísio, Madalena
Viciosa, María Teresa
Affouard, Frédéric
Correia, Natália T.
author_role author
author2 Matos, Inês
Danède, Florence
Sotomayor, João C.
Fonseca, Isabel M.
Corvo, Marta C.
Dionísio, Madalena
Viciosa, María Teresa
Affouard, Frédéric
Correia, Natália T.
author2_role author
author
author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv LAQV@REQUIMTE
DQ - Departamento de Química
DCM - Departamento de Ciência dos Materiais
CENIMAT-i3N - Centro de Investigação de Materiais (Lab. Associado I3N)
RUN
dc.contributor.author.fl_str_mv Cordeiro, Teresa
Matos, Inês
Danède, Florence
Sotomayor, João C.
Fonseca, Isabel M.
Corvo, Marta C.
Dionísio, Madalena
Viciosa, María Teresa
Affouard, Frédéric
Correia, Natália T.
dc.subject.por.fl_str_mv amorphous state
drug delivery development
drug release
drug-carrier multiple interactions
molecular mobility
simvastatin
Pharmaceutical Science
topic amorphous state
drug delivery development
drug release
drug-carrier multiple interactions
molecular mobility
simvastatin
Pharmaceutical Science
description co-financed by the ERDF under the PT2020 Partnership Agreement (POCI-01-0145-FEDER—007265). This research was funded by the Interreg 2 Seas program 2014–2020, and co-funded by the European Regional Development Fund (FEDER) under subsidy contract 2S01-059_IMODE and 2S07-033_ Site Drug. This research was funded by the Program PHC PESSOA 2018 project nbr 4340/40868R. This research was funded by National Funds through FCT—Portuguese Foundation for Science and Technology, reference, LA/P/0056/2020, UIDB/50025/2020-2023, and PTNMR (ROTEIRO/0031/2013), co-financed by ERDF through COMPETE 2020, Portugal, POCI and PORL and FCT through PIDDAC (POCI-01-0145-FEDER-007688). Publisher Copyright: © 2023 by the authors.
publishDate 2023
dc.date.none.fl_str_mv 2023-06-29T22:17:43Z
2023-04-22
2023-04-22T00:00:00Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://hdl.handle.net/10362/154626
url http://hdl.handle.net/10362/154626
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 1999-4923
PURE: 64822664
https://doi.org/10.3390/pharmaceutics15051320
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 28
application/pdf
dc.source.none.fl_str_mv reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron:RCAAP
instname_str Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron_str RCAAP
institution RCAAP
reponame_str Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
collection Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
repository.name.fl_str_mv Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
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