Hydroxynaphthoquinones such as lawsone (2-hydroxy-1,4-naphthoquinone) have proven to be effective antifungal agents. These compounds were tested for antifungal activity against yeast standard and clinical strains by the broth microdilution method. Among the synthetic lawsone derivatives, 2-hydroxy-3-((2-hydroxyphenyl)(pyrrolidin-1-yl)methyl)naphthalene-1,4-dione, 2-hydroxy-3-(((4-nitrophenyl)amino)(phenyl)methyl)naphthalene-1,4-dione and 2-hydroxy-3-((2-hydroxyphenyl)((4-nitrophenyl)amino)methyl)naphthalene-1,4-dione showed high activity against Candida albicans ATCC 10231, with minimal inhibitory concentrations (MICs) and minimal fungicidal concentrations (MFCs) ranging from 20 to 330 and from 80 to 330 μg mL -1 , respectively. Moreover, they also showed a mechanism of action on exogenous ergosterol. Therapeutic concentrations (CC 50 ) of 2-hydroxy-3-((2-hydroxyphenyl)(pyrrolidin-1-yl)methyl) naphthalene-1,4-dione, 2-hydroxy-3-(((4-nitrophenyl)amino)(phenyl)methyl)naphthalene-1,4-dione and 2-hydroxy-3-((2-hydroxyphenyl)((4-nitrophenyl)amino)methyl)naphthalene-1,4-dione were 52.81, 52.58 and 85.94 μg mL -1 , respectively, which can be considered moderate or low. In addition, docking studies showed that these compounds had similar binding energy to standard ketoconazole, which are recognized as the molecular target by van der Waals interactions. Furthermore, they are under Lipinski's rule of 5 with a druglikeness score better than ketoconazole and nystatin. These findings suggest that 2-hydroxy-3-((2-hydroxyphenyl)(pyrrolidin-1-yl)methyl) naphthalene-1,4-dione, 2-hydroxy-3-(((4-nitrophenyl)amino)(phenyl)methyl)naphthalene-1,4-dione and 2-hydroxy-3-((2-hydroxyphenyl)((4-nitrophenyl)amino)methyl)naphthalene-1,4-dione have potential as leading compounds against human fungal infections.
Observando-se os valores de R² referentes à Borra de café, nota-se que o modelo de Freundlich foi mais eficaz em descrever o sistema de adsorção Borra/2,4,-D. Já no caso da Casca de café, os valores de R² obtidos, indicam que o modelo que melhor descreve o sistema de equilíbrio Casca/2,4-D é o de Langmuir. Os valores de qA, MÁX e de porcentagem de remoção de 2,4-D seguem a ordem Carvão > Borra > Casca, respectivamente. Observa-se que a discrepância desses valores entre as matrizes se reflete experimentalmente, como esperado, já que a área superficial das matrizes também segue a ordem Carvão > Borra > Casca.
CONCLUSÕESDe modo geral, pode-se concluir que a Borra e a Casca de café in natura não são comparáveis ao Carvão ativado na eficácia para remoção do 2,4-D em meios aquosos. Já a Borra e a Casca de café carbonizadas possuem potencial para remoção de 2,4-D, porém com desempenho muito inferior ao do Carvão ativado, que representou o tratamento que é geralmente utilizado para a remoção de micro contaminantes da água.
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