Biblioteca do Café
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Item Potential inhibitory action of cafestol on apoptosis proteins: An in-silico study(Editora UFLA, 2025-02-04) Rendón-Rodríguez, Juan José; Lopera-Rodríguez, Jorge Alejandro; Sanabria-Chanaga, Elkin; Röthlisberger, SarahCoffee has been found to reduce cell proliferation and induce apoptosis, which is significant in terms of protecting against cancer. However, the molecular mechanism of this effect is yet to be fully elucidated. The aim of this study was to evaluate the affinity between 12 key proteins involved in apoptosis and four of the main compounds derived from coffee: caffeine, cafestol, caffeic acid, and chlorogenic acid, in order to contribute to the understanding of the effect of coffee on apoptosis. Molecular docking was performed between proteins and ligands using Autodock Tools in Autodock Vina. The best protein-ligand complexes were then submitted to molecular dynamics (MD) simulations in GROMACS 2018.2. The best interactions in molecular docking analysis were Bcl-2 with cafestol, Bcl2l1 with cafestol, and Bax with cafestol. MD simulations show that cafestol binds more strongly within the binding pockets of Bcl-2 and Bax, while the Bcl2l1-cafestol complex is not very stable. These results imply that cafestol competes for binding with Bcl-2 and Bax. Binding of cafestol could inhibit the anti-apoptotic activity of Bcl-2 and promote the pro-apoptotic activity of Bax, thus favoring apoptosis. This is especially relevant in the context of cancer cells, where the expression of Bcl-2 can be increased. We propose a model in which the binding of cafestol with Bcl-2 favors a pro-apoptotic effect, and as such is worth further scrutiny as an anticancer strategy.Item Characterization of Roasted Coffea arabica Species by the Relationship Between Caffeine and Diterpenes Contents(Instituto de Tecnologia do Paraná - Tecpar, 2020) Zanin, Rodolfo Campos; Kitzberger, Cíntia Sorane Good; Benassi, Marta de ToledoCommercial roasted and ground coffees are usually blends of Coffea arabica and Coffea canephora. Considering the differences in price and sensory characteristics between these two species, the identification of the presence of each species in commercial blends is of great interest. The aim of this study was to describe typical profiles of caffeine and diterpenes (kahweol and cafestol) contents and the ratios among these compounds to support the characterization of Coffea species in roasted coffees. 32 good cup quality Brazilian C. arabica coffees (from coffee quality contests) produced using different postharvest treatments were studied. All analysis were performed by HPLC. Higher ranges were observed in diterpene contents – kahweol varied from 1.75 to 10.68 g/kg (coefficient of variation of 510%) and cafestol from 1.76 to 9.66 g/kg (449%) – than caffeine, that varied from 5.1 to 16.2 g/kg (coefficient of variation of 218%). Wide ranges of the kahweol/cafestol ratio (0.63 to 2.77) and the caffeine/kahweol ratio (0.84 to 5.15) were also observed. Hence it was proposed the additional use of a new parameter, the ratio of caffeine/sum of diterpenes (kahweol + cafestol) that presents values from 0.54 to 2.39. The results indicated that the combined use of these parameters could be a potential tool for discriminating Coffea species in blends of roasted and ground coffee. It was proposed as potentially indicative of C. arabica: values of kahweol/cafestol ratio above 0.50, associated with caffeine/kahweol ratio lower than 5.50 and caffeine/sum of diterpenes ratio lower than 2.50.