A series of 3-substituted-7-aminoalcoxy-coumarin was designed and evaluated as cholinesterase inhibitors and antioxidants. All compounds were effective in inhibiting AChE with potencies in the nanomolar range. The 3-(4-(dimethylamino)phenyl)-7-aminoethoxy-coumarin (6a) was considered a hit, showing good AChE inhibition potency (IC50 = 20 nM) and selectivity (IC50 BuChE/AChE = 354), quite similar to the reference drug donepezil (IC50 = 6 nM; IC50 BuChE/AChE = 365), also presenting antioxidant properties, low citotoxicity and good-predicted ADMET properties. The mode of action (mixed-type) and SAR analysis for this series of compounds were described by means of kinetic and molecular modeling evaluations.
The aim of this work was to investigate the organic proprieties in different kinds of ethanolic extracts directly from the market and prepared from raw propolis. The raw propolis was obtained by scraping it from the hives (type 1) and by using a collector to obtain it in strips (type 2). The analysis of phenolic and flavonoid contents was performed, and the oxidative index was obtained. The raw propolis obtained in cities of Southeastern Brazil presented a balsamic aroma, a dark green brownish color was predominant and the consistency was hard or malleable; its origin is from wild flora. Our study pointed out the high variation with on the organic value of propolis, which is a barrier to define a pattern from different types. Type 1 propolis, the easiest to collect, needs some care in good practices, and the commercial extracts need quality control.
Estudo Teórico e Experimental da Interação entre Albumina Sérica Humana e Artepillin C, um Princípio Ativo da Própolis Verde BrasileiraResumo: A própolis verde brasileira é produzida na região sudeste do país pelas abelhas Apis mellifera, que utilizam como fonte de extração as plantas da espécie Baccharis dracunculifolia. Esse tipo de própolis apresenta diversas atividades biológicas, as quais estão geralmente atreladas à presença do composto natural Artepillin C. Albumina sérica humana (ASH) é o principal carreador de pequenas moléculas na corrente sanguínea e, tendo em vista o potencial farmacológico da Artepillin C, o objetivo do presente trabalho é o estudo da interação ASH:Artepillin C por técnicas espectroscópicas (dicroísmo circular, fluorescência no estado estacionário e resolvida no tempo), potencial zeta e ancoramento molecular. A interação ASH:Artepillin C ocorre no estado fundamental no sítio I da albumina, sendo controlada tanto pela entropia quanto pela entalpia. A presença de Artepillin C acarreta uma pequena perturbação na estrutura secundária da albumina e nenhum tipo de perturbação significativa em sua superfície. Estudos de ancoramento molecular sugerem que as principais forças controladoras da interaçãoASH:Artepillin C são van der Waals, hidrofóbica e ligação de hidrogênio.
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