45 documents found, page 1 of 5
High-quality draft genome sequence of Gaiella occulta isolated from a 150 meter...
Severino, Rita; Froufe, Hugo J.C.; Barroso, Cristina; Albuquerque, Luciana; Lobo-da-Cunha, Alexandre; Costa, Milton S. da; Egas, ConceiçãoGaiella occulta strain F2-233T (=CECT 7815 = LMG 26412), isolated from a 150 meter deep mineral water aquifer, was deemed a candidate for high-quality draft genome sequencing because of the rare environment from which it was isolated. The draft genome sequence (QQZY00000000) of strain F2-233T is composed of approximately 3 Mb, predicted 3,119 protein-coding genes of which 2,545 were assigned putative functions....
Wild Roman chamomile extracts and phenolic compounds: enzymatic assays and mole...
Guimarães, Rafaela; Calhelha, Ricardo C.; Froufe, Hugo J.C.; Abreu, Rui M.V.; Carvalho, Ana Maria; Queiroz, Maria João R.P.; Ferreira, Isabel C.F.R.Angiogenesis is a process by which new blood vessels are formed from the pre-existing vasculature, and it is a key process that leads to tumour development. Some studies have recognized phenolic compounds as chemopreventive agents; flavonoids, in particular, seem to suppress the growth of tumor cells modifying the cell cycle. Herein, the antiangiogenic activity of Roman chamomile (Chamaemelum nobile L.) extract...
Inhibition of the VEGFR-2 tyrosine kinase domain by witd Roman chamomile extrac...
Guimarães, Rafaela; Calhelha, Ricardo C.; Froufe, Hugo J.C.; Abreu, Rui M.V.; Carvalho, Ana Maria; Ferreira, Isabel C.F.R.; Queiroz, Maria João R.P.Angiogenesis results from new blood vessels growing excessively (e. g. câncer). The Vascular Endothelial Growth Factor (VEGF) is secreted by the tumor cells and plays a crucial role in angiogenesis; low oxygen tension dramatically induces the expression of this major angiogenic factor that when linked to the transmembrane tyrosine kinase receptor VEGFR-2, which is present in endothelial cells, signalizes for th...
Synthesis, antiangiogenesis evaluation and molecular docking studies of 1-aryl-...
Machado, Vera A.; Peixoto, Daniela; Costa, Raquel; Froufe, Hugo J.C.; Calhelha, Ricardo C.; Abreu, Rui M.V.; Ferreira, Isabel C.F.R.; Soares, RaquelThe synthesis and biological evaluation of novel 1-aryl-3-[2-, 3- or 4-(thieno[3,2-b]pyridin-7-ylthio)phenyl] ureas 3, 4 and 5 as VEGFR-2 tyrosine kinase inhibitors, are reported. The 1-aryl-3-[3-(thieno[3,2-b]- pyridin-7-ylthio)phenyl]ureas 4a–4h, with the arylurea in the meta position to the thioether, showed the lowest IC50 values in enzymatic assays (10–206 nM), the most potent compounds 4d–4h (IC50 10– 28 ...
VScore: a software for management of large scale virtual screening projects in ...
Abreu, Rui M.V.; Froufe, Hugo J.C.; Ferreira, Isabel C.F.R.; Sousa, J.N.; Rufino, José; Queiroz, Maria João R.P.Virtual screening (VS) of large compound databases using docking tools present several challenges forthe average user and currently the use of High Processing Computer (HPC) clusters is mandatory. The availability ofsoftware tools with the abilityto perform ali the necessary VS tasks, ranging from compound and protein structure preparation, cluster job submitting to results management and analysis is a requisit...
Docking studies in target proteins involved in mechanisms of antibacterial acti...
Alves, Maria José; Froufe, Hugo J.C.; Costa, Ana F.T.; Santos, Anabela F.; Oliveira, Liliana G.; Osório, Sara R.M.; Abreu, Rui M.V.; Pintado, ManuelaIn the present work, the knowledge on target proteins of standard antibiotics was extended to antimicrobial mushroom compounds. Docking studies were performed for 34 compounds in order to evaluate their affinity to bacterial proteins that are known targets for some antibiotics with different mechanism of action: inhibitors of cell wall synthesis, inhibitors of protein synthesis, inhibitors of nucleic acids synt...
VScore: uma plataforma para desenvolvimento de novos fármacos usando screening ...
Froufe, Hugo J.C.; Ferreira, Isabel C.F.R.; Sousa, João N.; Rufino, José; Abreu, Rui M.V.O screening virtual de grandes bibliotecas de compostos químicos, utilizando metodologias computacionais como o molecular docking, é cada vez mais utilizado na procura de potenciais inibidores de proteínas-alvo envolvidas em diferentes patologias. No entanto, devido ao facto destas bibliotecas poderem atingir um número de compostos químicos que podem ir das dezenas às centenas de milhar, é muitas vezes necessár...
Antimicrobial activity of phenolic compounds identified in wild mushrooms, SAR ...
Alves, Maria José; Ferreira, Isabel C.F.R.; Froufe, Hugo J.C.; Abreu, Rui M.V.; Martins, Anabela; Pintado, ManuelaAim and Methods: Although the antimicrobial activity of extracts from several mushroom species have been reported, studies with the individual compounds present in that extracts are scarce. Herein, the antimicrobial activity of different phenolic compounds identified and quantified in mushroom species from all over the world was evaluated. Furthermore, a structure activity relationship (SAR) analysis and molecu...
Aplicação de ferramentas de quimioinformática no desenvolvimento de novos fárma...
Abreu, Rui M.V.; Froufe, Hugo J.C.; Queiroz, Maria João R.P.; Ferreira, Isabel C.F.R.A quimioinformática é uma área científica que utiliza métodos computacionais para resolver problemas de Química normalmente associados à representação virtual da estrutura de compostos químicos, quer sejam sintéticos ou naturais. t: provavelmente a disciplina de computação aplicada com maior historial, embora o termo quimioinformática só tenha surgido há menos de uma década. As ferramentas computacionais utiliz...
1-Aryl-3-[4-(thieno[3,2-d]pyrimidin-4-yloxy)phenyl]ureas as VEGFR-2 tyrosine ki...
Soares, Pedro; Costa, Raquel; Froufe, Hugo J.C.; Calhelha, Ricardo C.; Peixoto, Daniela; Abreu, Rui M.V.; Ferreira, Isabel C.F.R.; Soares, RaquelThe Vascular Endothelial Growth Factor Receptor-2 (VEGFR-2) is a tyrosine kinase receptor involved in the growth and differentiation of endothelial cells that is implicated in tumor-associated angiogenesis. In this study novel 1-aryl-3-[4-(thieno[3,2-d]pyrimidin-4-yloxy)phenyl]ureas were synthesized and evaluated for the VEGFR-2 tyrosine kinase inhibition. Three of these compounds showed good VEGFR-2 inhibition...