Utilize este identificador para referenciar este registo:
https://hdl.handle.net/1822/80251
Título: | Liposomal formulations loaded with a eugenol derivative for application as insecticides: encapsulation studies and In silico identification of protein targets |
Autor(es): | Fernandes, Maria José Gomes Pereira, Renato B. Rodrigues, Ana Rita Oliveira Vieira, Tatiana F. Fortes, A. Gil Pereira, David M. Sousa, Sérgio F. Gonçalves, M. Sameiro T. Castanheira, Elisabete M. S. |
Palavras-chave: | eugenol derivatives nanoencapsulation liposomal formulations inverted virtual screening protein targets insecticides |
Data: | 13-Out-2022 |
Editora: | Multidisciplinary Digital Publishing Institute (MDPI) |
Revista: | Nanomaterials |
Citação: | 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 |
Resumo(s): | 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. |
Tipo: | Artigo |
Descrição: | Supplementary Materials can be downloaded at: https://www.mdpi.com/article/10.3390/nano12203583/s1, |
URI: | https://hdl.handle.net/1822/80251 |
DOI: | 10.3390/nano12203583 |
e-ISSN: | 2079-4991 |
Versão da editora: | https://www.mdpi.com/2079-4991/12/20/3583 |
Arbitragem científica: | yes |
Acesso: | Acesso aberto |
Aparece nas coleções: | PHYSICS OF QUANTUM MATERIALS AND BIONANOSTRUCTURES (2018 - ...) CDQuim - Artigos (Papers) |
Ficheiros deste registo:
Ficheiro | Descrição | Tamanho | Formato | |
---|---|---|---|---|
nanomaterials-12-03583.pdf | Article | 2,71 MB | Adobe PDF | Ver/Abrir |
Supplementary Material.pdf | Supplementary Material | 1,35 MB | Adobe PDF | Ver/Abrir |
Este trabalho está licenciado sob uma Licença Creative Commons