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https://locus.ufv.br//handle/123456789/19669
Tipo: | Artigo |
Título: | Synthesis, activity and docking studies of eugenol-based glucosides as new agents against Candida sp. |
Autor(es): | Santos, Marcelo Henrique dos Hipólito, Taciane Maíra Magalhães Bastos, Guilherme Tadeu Lemos Barbosa, Thúlio Wliandon Lemos Souza, Thiago Belarmino de Coelho, Luiz Felipe Leomil Dias, Amanda Latércia Tranches Rodríguez, Ihosvany Camps Dias, Danielle Ferreira Franco, Lucas Lopardi Carvalho, Diogo Teixeira |
Abstract: | Seventeen new synthetic derivatives of eugenol (6, 8–15 and 8′‐15′) were planned following literature reports on antifungal activities of nitroeugenol and eugenol glucoside. The anti‐Candida activity of these compounds was investigated by in vitro assay and the cytotoxicity evaluation was performed with the most active compounds. The peracetylated glucosides presented better biological results than their hydroxylated analogues. The glucoside 11, a 4‐nitrobenzamide, showed the best potency (MIC50 range 11.0‐151.84 μM), the wider spectrum of action and overall the best selectivity indexes, especially against C. tropicalis (~30) and C. krusei (~15). In order to investigate its possible mechanism of action, glucoside 11 was subjected to molecular docking studies with Candida sp. enzymes involved in ergosterol biosynthesis. Results have shown that the peracetyl glucosyl moiety and the 4‐nitrobenzamide group in 11 are effectively involved in its high affinity with the active site of squalene epoxidase. |
Palavras-chave: | Eugenol Glucosides Antifungals Candida spp Molecular docking |
Editor: | Chemical Biology & Drug Design |
Tipo de Acesso: | Open Access |
URI: | http://dx.doi.org/10.1111/cbdd.13318 http://www.locus.ufv.br/handle/123456789/19669 |
Data do documento: | 25-Abr-2018 |
Aparece nas coleções: | Artigos |
Arquivos associados a este item:
Arquivo | Descrição | Tamanho | Formato | |
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artigo.pdf Until 2100-12-31 | texto completo | 785,84 kB | Adobe PDF | Visualizar/Abrir ACESSO RESTRITO |
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