Publications by authors named "Beatriz L C De Carvalho"

Article Synopsis
  • This study focuses on creating and testing 6-aminated 1,4-benzoquinones (6-AQs) for their ability to combat seven resistant pathogens.
  • The 6-AQs were synthesized using a reaction between bromoquinone and substituted anilines, and their antimicrobial effectiveness was analyzed, revealing minimum inhibitory concentrations between 16 to 128 μg/ml.
  • Notably, two derivatives showed effectiveness against methicillin-resistant strains, showcasing both bacteriostatic and bactericidal properties and suggesting these compounds as potential new treatments.
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Two different products were obtained by the regiodivergent reaction of benzoquinone derivatives with phenolates and anilines: 3-aryloxybenzoquinone and 2-phenylamino-3-bromobenzoquinone. Calculated density functional theory free energies of reaction values corroborate the experimental observation of the formation of the substitution product in the reaction with phenolates in acetonitrile and the product of addition/oxidation for the reaction with aniline in water. Calculated charges and Fukui functions are similar for C2 and C3 atoms, indicating an equal possibility to suffer a nucleophilic attack.

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Background: According to the World Health Organization, antimicrobial resistance is one of the most important public health threats of the 21st century. Therefore, there is an urgent need for the development of antimicrobial agents with new mechanism of action, especially those capable of evading known resistance mechanisms.

Objective: We described the synthesis, in vitro antimicrobial evaluation, and in silico analysis of a series of 1H-indole-4,7-dione derivatives.

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