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https://hdl.handle.net/1822/80251
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Campo DC | Valor | Idioma |
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dc.contributor.author | Fernandes, Maria José Gomes | por |
dc.contributor.author | Pereira, Renato B. | por |
dc.contributor.author | Rodrigues, Ana Rita Oliveira | por |
dc.contributor.author | Vieira, Tatiana F. | por |
dc.contributor.author | Fortes, A. Gil | por |
dc.contributor.author | Pereira, David M. | por |
dc.contributor.author | Sousa, Sérgio F. | por |
dc.contributor.author | Gonçalves, M. Sameiro T. | por |
dc.contributor.author | Castanheira, Elisabete M. S. | por |
dc.date.accessioned | 2022-10-19T19:47:25Z | - |
dc.date.available | 2022-10-19T19:47:25Z | - |
dc.date.issued | 2022-10-13 | - |
dc.identifier.citation | Fernandes, M.J.G.; Pereira, R.B.; Rodrigues, A.R.O.; Vieira, T.F.; Fortes, A.G.; Pereira, D.M.; Sousa, S.F.; Gonçalves, M.S.T.; Castanheira, E.M.S. Liposomal Formulations Loaded with a Eugenol Derivative for Application as Insecticides: Encapsulation Studies and In Silico Identification of Protein Targets. Nanomaterials 2022, 12, 3583. https://doi.org/10.3390/nano12203583 | por |
dc.identifier.uri | https://hdl.handle.net/1822/80251 | - |
dc.description | Supplementary Materials can be downloaded at: https://www.mdpi.com/article/10.3390/nano12203583/s1, | - |
dc.description.abstract | A recently synthesized new eugenol derivative, ethyl 4-(2-methoxy-4-(oxiran-2-ylmethyl)phenoxy)butanoate, with a high insecticidal activity against Sf9 (Spodoptera frugiperda) insect cells, was encapsulated in the liposomal formulations of egg-phosphatidylcholine/cholesterol (Egg-PC:Ch) 70:30 and 100% dioleoylphosphatidylglycerol (DOPG), aiming at the future application as insecticides. Compound-loaded DOPG liposomes have sizes of 274 ± 12 nm, while Egg-PC:Ch liposomes exhibit smaller hydrodynamic diameters (69.5 ± 7 nm), high encapsulation efficiency (88.8% ± 2.7%), higher stability, and a more efficient compound release, thus, they were chosen for assays in Sf9 insect cells. The compound elicited a loss of cell viability up to 80% after 72 h of incubation. Relevantly, nanoencapsulation maintained the toxicity of the compound toward insect cells while lowering the toxicity toward human cells, thus showing the selectivity of the system. Structure-based inverted virtual screening was used to predict the most likely targets and molecular dynamics simulations and free energy calculations were used to demonstrate that this molecule can form a stable complex with insect odorant binding proteins and/or acetylcholinesterase. The results are promising for the future application of compound-loaded nanoliposome formulations as crop insecticides. | por |
dc.description.sponsorship | This research was funded by project PTDC/ASP-AGR/30154/2017 (POCI-01-0145-FEDER 030154) of the COMPETE2020 program, co-financed by the FEDER and the European Union. The authors also acknowledge the Foundation for Science and Technology (FCT, Portugal) and FEDERCOMPETE QREN-EU for financial support to the research centers CQUM (UID/QUI/00686/2021), CF-UM-UP (UIDB/04650/2020) and REQUIMTE (UIDB/50006/2020). Renato B. Pereira acknowledges PRIMA Foundation (H2020-PRIMA 2018—Section 2, Project MILKQUA) and FCT (PTDC/QUI-QFI/2870/2020) for additional funding. The NMR spectrometer Bruker Avance III 400 is part of the National NMR Network and was purchased within the framework of the National Program for Scientific Re-equipment, contract REDE/1517/RMN/2005, with funds from POCI 2010 (FEDER) and FCT. | por |
dc.language.iso | eng | por |
dc.publisher | Multidisciplinary Digital Publishing Institute (MDPI) | por |
dc.relation | info:eu-repo/grantAgreement/FCT/9471 - RIDTI/PTDC%2FASP-AGR%2F30154%2F2017/PT | por |
dc.relation | UID/QUI/00686/2021 | por |
dc.relation | info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F04650%2F2020/PT | por |
dc.relation | info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F50006%2F2020/PT | por |
dc.relation | info:eu-repo/grantAgreement/FCT/3599-PPCDT/PTDC%2FQUI-QFI%2F2870%2F2020/PT | por |
dc.rights | openAccess | por |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | por |
dc.subject | eugenol derivatives | por |
dc.subject | nanoencapsulation | por |
dc.subject | liposomal formulations | por |
dc.subject | inverted virtual screening | por |
dc.subject | protein targets | por |
dc.subject | insecticides | por |
dc.title | Liposomal formulations loaded with a eugenol derivative for application as insecticides: encapsulation studies and In silico identification of protein targets | por |
dc.type | article | por |
dc.peerreviewed | yes | por |
dc.relation.publisherversion | https://www.mdpi.com/2079-4991/12/20/3583 | por |
oaire.citationIssue | 20 | por |
oaire.citationVolume | 12 | por |
dc.identifier.eissn | 2079-4991 | - |
dc.identifier.doi | 10.3390/nano12203583 | por |
dc.subject.fos | Ciências Agrárias::Biotecnologia Agrária e Alimentar | por |
dc.subject.fos | Ciências Naturais::Ciências Químicas | por |
dc.subject.fos | Engenharia e Tecnologia::Nanotecnologia | por |
dc.subject.wos | Science & Technology | por |
sdum.journal | Nanomaterials | por |
oaire.version | VoR | por |
dc.identifier.articlenumber | 3583 | por |
dc.subject.ods | Erradicar a fome | por |
dc.subject.ods | Produção e consumo sustentáveis | por |
dc.subject.ods | Proteger a vida terrestre | por |
Aparece nas coleções: | PHYSICS OF QUANTUM MATERIALS AND BIONANOSTRUCTURES (2018 - ...) CDQuim - Artigos (Papers) |
Ficheiros deste registo:
Ficheiro | Descrição | Tamanho | Formato | |
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nanomaterials-12-03583.pdf | Article | 2,71 MB | Adobe PDF | Ver/Abrir |
Supplementary Material.pdf | Supplementary Material | 1,35 MB | Adobe PDF | Ver/Abrir |
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