Synthesis, screening for antiacetylcholinesterase activity and binding mode prediction of a new series of [3-(disubstituted-phosphate)-4,4,4-trifluoro-butyl]-carbamic acid ethyl esters

A series of nine new [3-(disubstituted-phosphate)-4,4,4-trifluoro-butyl]-carbamic acid ethyl esters (phosphate-carbamate compounds) was obtained through the reaction of (4,4,4-trifluoro-3-hydroxybut-1-yl)-carbamic acid ethyl esters with phosphorus oxychloride followed by the addition of alcohols. The products were characterized by ¹H, 13C, 31P, and 19F NMR spectroscopy, GC-MS, and elemental analysis. All the synthesized compounds were screened for acetylcholinesterase (AChE) inhibitory activity using the Ellman method. All compounds containing phosphate and carbamate pharmacophores in their structures showed enzyme inhibition, being the compound bearing the diethoxy phosphate group (2b) the most active compound. Molecular modeling studies were performed to investigate the detailed interactions between AChE active site and small-molecule inhibitor candidates, providing valuable structural insights into AChE inhibition.Uma nova série de nove 3-fosfato-(4,4,4-trifluor-butil)-carbamatos de etila (compostos fosfato-carbamato), foram obtidos através da reação de (4,4,4-trifluor-3-hidroxibut-1-il)-etil carbamatos com oxicloreto de fósforo seguido de adição de álcoois. Os produtos foram caracterizados por espectroscopia de RMN de ¹H, 13C, 31P e 19F, CG-EM e análise elementar. Todos os compostos sintetizados foram testados para a inibição da enzima acetilcolinesterase (AChE) usando o método de Ellman. Todos os compostos analisados contendo os grupos carbamato e fosfato em sua estrutura, mostraram inibição enzimática, sendo que o composto contendo o grupo dietóxi (2b) apresentou a maior atividade inibitória. Estudos de modelagem molecular foram realizados para obter informações detalhadas entre o sítio ativo da enzima acetilcolinesterase e os compostos candidatos a inibição, obtendo-se valiosas informações estruturais com relação à inibição de enzima acetilcolinesterase.Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)FAPES

Antioxidant activity of an Mg(ii) compound containing ferulic acid as a chelator : potential application for active packaging and riboflavin stabilisation

Foods rich in riboflavin (Rf) are susceptible to degradation due to oxidative processes with the formation of radicals. Herein, we describe the features and stability of an Mg(II) complex containing ferulic acid (fer) and 1,10-phenanthroline (phen) as chelators: henceforth called Mg(phen)(fer). The electrochemical behavior of Mg(phen)(fer) is pH dependent and results from the stabilisation of the corresponding phenoxyl radical via complexation with Mg(II). This stabilisation enhances the antioxidant activity of Mg(phen)(fer) with respect to free fer and commercial antioxidants. Mg(phen)(fer) scavenges and neutralizes DPPH˙ (IC50 = 15.6 μmol L−1), ABTS˙+ (IC50 = 5.65 μmol L−1), peroxyl radical (IC50 = 5.64 μg L−1) and 1O2 (IC50 = 0.7 μg m−1). Mg(phen)(fer) effectively protects riboflavin (Rf) against photodegradation by quenching the singlet excited states of Rf regardless of the conditions. Also, the complex Mg(phen)(fer) was effectively incorporated into starch films, broadening its applications, as shown by microbiological studies. Thus, Mg(phen)(fer) has high potential for use in Rf-rich foods and to become a new alternative to the synthetic antioxidants currently used

Saúde reprodutiva e sexual masculina em Francisco Morato, SP: o discurso de profissionais, gerentes e gestores de saúde Male reproductive and sexual health in Francisco Morato: the discourse of health professionals, managers and administrators

Este relato de pesquisa tem como objetivo mostrar como se configurava, em 2004, a atenção à saúde reprodutiva e sexual masculina no município de Francisco Morato, a partir do discurso de profissionais, gerentes e gestores de saúde. Foram entrevistados oito profissionais, cinco gerentes e três gestores de saúde, utilizando-se a entrevista como método de coleta de dados, e a análise temática para o seu tratamento. Mostramos que, a exemplo da tendência geral das ações em saúde pública no Brasil, a esterilização e o aconselhamento para a saúde sexual e reprodutiva eram calcados em uma visão biomédica. Existem, no entanto, iniciativas isoladas de atenção constituídas a partir de uma noção intuitiva das diferenças entre homens e mulheres na busca dos serviços de saúde. Foram propostos o fortalecimento e a criação de espaços coletivos para discutir os cuidados à saúde sexual e reprodutiva. O texto se encerra afirmando, ainda, a necessidade desses espaços para formulação e implementação de propostas que considerem os diversos perfis de morbi-mortalidade do município.<br>This paper aims to show the situation of the male reproductive and sexual healthcare in the municipality of Francisco Morato in 2004, based on the discourse of health professionals, health managers and public health administrators. The participants in the investigation were eight health professionals, five health managers and three public health administrators. Interviews were used for data collection and thematic analysis was employed for data interpretation. We showed that, following the general trend of Brazilian public health actions, sterilization and sexual and reproductive health counseling used to be based on a biomedical viewpoint. Nevertheless, there are isolated care initiatives grounded on the intuitive notion that men and women are different in their search for healthcare services. The implementation of collective spaces and the strengthening of these spaces for the discussion of reproductive and sexual health are, therefore, proposed. In addition to that, it is stated in this paper that there is the need of formulation and implementation of further political proposals which take into account the different aspects involving morbidity and mortality in the municipality