Utilize este identificador para referenciar este registo:
https://hdl.handle.net/1822/86859
Título: | Synthesis, computational and nanoencapsulation studies on eugenol-derived insecticides |
Autor(es): | Coelho, Catarina M. M. Pereira, Renato B. Vieira, Tatiana F. Teixeira, Cláudia M. Fernandes, Maria José Gomes Rodrigues, Ana Rita O. Pereira, David M. Sousa, Sérgio F. Fortes, A. Gil Castanheira, Elisabete M. S. Gonçalves, M. Sameiro T. |
Palavras-chave: | Eugenol derivatives Nanoencapsulation Insecticides Insecticides formulations |
Data: | 2022 |
Editora: | Royal Society of Chemistry |
Revista: | New Journal of Chemistry |
Citação: | C. M. M. Coelho, R. B. Pereira, T. F. Vieira, C. M. Teixeira, M. J. G. Fernandes, A. R. O. Rodrigues, D. M. Pereira, S. F. Sousa, A. G. Fortes, E. M. S. Castanheira, M. S. T. Gonçalves, “Synthesis, Computational and Nanoencapsulation Studies on Eugenol-Derived Insecticides”, New Journal of Chemistry, 2022, 46, 14375 - 14387. |
Resumo(s): | A new set of alkoxy alcohols were synthesised by reaction of eugenol oxirane with aliphatic and aromatic alcohols. These eugenol derivatives were evaluated against their effect upon the viability of the insect cell line Sf9 (Spodoptera frugiperda). The most promising compounds, 4-(3-(tert-butoxy)-2-hydroxypropyl)-2-methoxyphenol and 4-(2-((4-fluorobenzyl)oxy)-3-hydroxypropyl)-2-methoxyphenol were submitted to in silico assays to predict possible targets. Throught an Inverted Virtual Screening approach, 23 common pesticide targets were screened and the top 2 targets predicted were further analyzed through molecular dynamics simulations and free energy calculations. In addition, these eugenol derivatives were subjected to encapsulation and release assays using liposome-based nanosystems of egg phosphatidylcholine/cholesterol (7:3), with encapsulation efficiencies higher than 90% and release profiles well described by both Korsmeyer-Peppas and Weibull models. |
Tipo: | Artigo |
URI: | https://hdl.handle.net/1822/86859 |
DOI: | 10.1039/D2NJ01893D |
ISSN: | 1144-0546 |
e-ISSN: | 1369-9261 |
Versão da editora: | https://pubs.rsc.org/en/content/articlelanding/2022/nj/d2nj01893d |
Arbitragem científica: | yes |
Acesso: | Acesso aberto |
Aparece nas coleções: | CDQuim - Artigos (Papers) |
Ficheiros deste registo:
Ficheiro | Descrição | Tamanho | Formato | |
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NJC_Revised version_19-06-2022.pdf | 1,48 MB | Adobe PDF | Ver/Abrir |
Este trabalho está licenciado sob uma Licença Creative Commons