Coffee Science
URI permanente desta seção${dspace.url}/handle/123456789/3355
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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 Contents of diterpenes in espresso coffee brews prepared from commercial capsules(Editora UFLA, 2016-04) Wuerges, Karla Leticia; Santos, Ana Carolina Forgati dos; Mori, André Luiz Buzzo; Benassi, Marta de ToledoThe objective of this work was to quantify kahweol and cafestol diterpenes in coffee brews prepared from commercial capsules for espresso in the Brazilian market. Four types of brews, with five preparation replications, were evaluated. The capsules had differences in the amount and type of roasted and ground coffees used (blends of arabica and robusta coffee or 100% arabica coffee), and in the conditions of time and volume of extraction (dose) recommended by the manufacturer. The coffee brews presented 1.42 and 4.88 g of solids/100 mL. Concentration of solids decreased with the increase in time/volume extraction. Contents of 0.47 to 1.04 mg of kahweol and 0.38 to 0.92 mg of cafestol by dose (ranging from 35 to 120 mL) were observed. These contents corresponded to a range of 0.40 to 2.96 mg of kahweol/100 mL and 0.32 to 2.62 mg of cafestol/100 mL. The fraction of diterpenes extracted varied from 1.85 to 4.27 % for kahweol and 1.87 to 4.16 % for cafestol. Considering the contents of cafestol, there is no indication of a hypercholesterolemic effect due to a moderate consumption of coffee brews prepared from these commercial capsules.