DCFQE - Comunicações a Conferências / ConferenceItem
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Todo o tipo de documentos relacionados com uma conferência; ex.: artigos de conferências, relatórios de conferências, palestras em conferências, artigos publicados em proceedings de conferências, relatórios de abstracts de artigos de conferência e posters de conferências.
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Browsing DCFQE - Comunicações a Conferências / ConferenceItem by Subject "Anticancer"
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- Bioactive meroditerpenes from Cystoseira abies-marina, collected from the coast of S. Miguel islandPublication . Gouveia, Vera L. M.; Seca, Ana M. L.; Barreto, Maria do Carmo; Silva, Artur M. S.; Kijjoa, AnakeMany substances isolated from marine organisms have demonstrated to possess interesting biological and pharmacological activities and have been used as leads in the development of new pharmaceutical agents. Marine macroalgae are abundant and structuring organisms of the coastal area of all the islands in the Azores Archipelago; some have a markedly seasonal pattern and others are perennial and present during the whole year in the Azorean coasts. One of these is Cystoseira abies-marina which grows abundantly in the coast of the Azores archipelago. Interestingly, it was observed in situ that this alga was not attacked by common predators, such as marine gastropods which led to the suggestion that the great resistance to predation of this species was due to the presence of potentially active compounds, such as antifeedant and/or cytotoxic. Preliminary study on the extracts of Cystoseira abies-marina, collected in S. Miguel Island, showed very promising results for antitumour and antioxidant activities [3]. These results have increased our interest in this alga and led to its phytochemical study. Recently, we have reported the isolation and identification of benzoic acid and two new meronorsesquiterpenes [Cystoazores A (1) and Cystoazores B (2)] from the extracts of this marine alga [4]. Further investigation of this species led to isolation of other two new meroditerpene derivatives (3 and 4). We report here the isolation of the compounds 3 and 4, from Cystoseira abies-marina whose structures were established by 1D and 2D NMR spectral analysis as well as by MS. Additionally, the cytotoxic, anti-inflammatory and antioxidant activities of compounds 1-4 were evaluated and the results will be presented.
- Protein-ligand docking study: diterpenes from Juniperus brevifolia as anticancer and antimicrobial agentesPublication . Sousa, Inês J.; Fernandes, Miguel X.; Seca, Ana M. L.From leaves of Juniperus brevifolia, an endemic conifer from Azores, were isolated and structurally characterized, several dehydroabietane and sandaracopimarane derivatives. Some of them (1-4), displayed antiproliferative activity against cancer cell lines (HeLa, A-549 and MCF-7) and bactericidal effect against Bacillus cereus at different concentrations tested. However, it is not known how these compounds interact with most often proteins involved in the antimicrobial and cytotoxic mechanisms. Protein-ligand docking is mainly used to predict (energy and conformation wise) how small molecules bind to a protein of known 3D structure and to predict possible molecular targets for a set of compounds. In this work, the docking studies were performed, using the FlexScreen program, in order to pick molecular targets from a large set of common anticancer (63) and antimicrobial (39) targets to the selected compounds 1-4. The predicted interactions established between the compounds under study and the anticancer targets revealed that the compounds 1 and 3 interact preferentially with phosphatidylinositol-3,4,5-trisphosphate 5-phosphatase 2, whereas compounds 2 and 4 interact preferentially with human mitochondrial peptide deformylase and -tubulin, respectively. Studying the interactions between the compounds 1 and 3 and the antimicrobial targets we predict that these compounds interact preferentially with RNA polymerase and peptide deformylase. These results provide additional understanding of the cytotoxic and antimicrobial effects of diterpenes studied. These preliminary computational docking predictions of therapeutic targets were established working with just 4 compounds, and to obtain more reliable predictions the number of compounds needs to be increased.