|
|
|
| Registros recuperados: 22 | |
|
|
| Soares, Pedro; Froufe, Hugo J.C.; Abreu, Rui M.V.; Ferreira, Isabel C.F.R.; Borges, Fernanda; Queiroz, Maria João R.P.. |
| The development of anticancer drugs inhibiting angiogenesis has been an area of extensive research in the past decade. Angiogenesis is a requirement for tumor growth and metastasis and occurs through several signalling pathways. One key pathway that initiates proliferation and migration of endothelial cells is signalling through the vascular endothelial growth factor receptor-2 (VEGFR-2).1 Therefore, small molecules that block this signalling pathway through inhibition of VEGFR-2 tyrosine kinase activity could potentially inhibit angiogenesis and tumor growth. Recently works describing thienopyrimidine2 and thienopyrimidine 1,3-diarylureas3 as VEGFR-2 inhibitors have emerged in the literature. Here we present the synthesis of new... |
| Tipo: ConferenceObject |
|
| Ano: 2011 |
URL: http://hdl.handle.net/10198/6079 |
| |
|
|
| Soares, Pedro; Froufe, Hugo J.C.; Abreu, Rui M.V.; Ferreira, Isabel C.F.R.; Borges, Fernanda; Queiroz, Maria João R.P.. |
| Angiogenesis is a requirement for tumor growth and metastasis and occurs through several signalling pathways. One key pathway that initiates proliferation and migration of endothelial cells is signalling through the vascular endothelial growth factor receptor-2 (VEGFR-2).1 Therefore, small molecules that block this signalling pathway through inhibition of the VEGFR tyrosine kinase activity could potentially inhibit angiogenesis and tumour growth. Recently works describing thienopyrimidines2 and thienopyridine ureas3 as inhibitors of VEGFR-2 have appeared in the literature. Here we present the synthesis of new 1,3-diarylureas 2 starting by regioselective nucleophilic substitution of the 4-chlorothieno[3,2-d]pyrimidine with 4-aminophenol to obtain... |
| Tipo: ConferenceObject |
|
| Ano: 2011 |
URL: http://hdl.handle.net/10198/6077 |
| |
|
| |
|
|
| Froufe, Hugo J.C.; Abreu, Rui M.V.; Ferreira, Isabel C.F.R.. |
| Wild mushrooms have been described as sources of natural antioxidants, particularly phenolic compounds. However, many other compounds present in wild mushrooms can also act as antioxidants (reducers), so whole extracts from a wide range of species need to be examined. To gain further knowledge in this area, the relationship between the antioxidant potential (scavenging effect and reducing power) and chemical composition of twenty three samples from seventeen Portuguese wild mushroom species was investigated. A wide range of analytical parameters reported by our research group (including ash, carbohydrates, proteins, fat, monounsaturated fatty acids, polyunsaturated fatty acids, saturated fatty acids, phenolics, flavonoids, ascorbic acid and -carotene)... |
| Tipo: Article |
Palavras-chave: Wild mushrooms; Chemical composition; Antioxidant activity; QCAR; PLS. |
| Ano: 2009 |
URL: http://hdl.handle.net/10198/2615 |
| |
|
| |
|
|
| Abreu, Rui M.V.; Froufe, Hugo J.C.; Daniel, Pedro O.M.; Queiroz, Maria João R.P.; Ferreira, Isabel C.F.R.. |
| Mushrooms represent an unlimited source of compounds with antitumor and immunostimulating properties and mushroom intake as been shown to reduce the risk of breast cancer. A large number of LMW (low molecular weight) compounds present in mushrooms have been identified including: phenolic acids, flavonoids, tocopherols, carotenoids, sugars and fatty acids. In order to evaluate which wild mushroom LMW compounds may be involved in anti-breast cancer activity we selected a representative dataset of 43 LMW compounds and performed molecular docking against 3 known protein targets involved in breast cancer (Aromatase, Estrone Sulfatase and 17β-HSD-1) using AutoDock4 as docking software. The estimated inhibition constants for all LMW compounds were determined and... |
| Tipo: Article |
Palavras-chave: Mushrooms; Nutraceuticals; Breast cancer; Molecular Docking; AutoDock4. |
| Ano: 2011 |
URL: http://hdl.handle.net/10198/6231 |
| |
|
|
| Abreu, Rui M.V.; Froufe, Hugo J.C.; Queiroz, Maria João R.P.; Ferreira, Isabel C.F.R.. |
| O desenvolvimento de novas ferramentas computacionais é uma parte integral da área da bioinformática. A disponibilização destas ferramentas em modalidade de acesso livre permitir o acesso a um maior número de utilizadores e facilita significativamente o seu desenvolvimento pela facilidade de troca de ideias entre utilizadores. Neste trabalho, serão apresentados dois softwares desenvolvidos pelo nosso grupo de investigação: 1) MOLA1 que automatiza o screening virtual de bibliotecas de compostos com baixa massa molar, utilizando as ferramentas de docking AutoDock4 e AutoDock Vina; 2) ChemT2 que permite a geração de bibliotecas de compostos análogos de baixa massa molar, tendo como base uma estrutura química de interesse. Será ainda apresentado um exemplo de... |
| Tipo: ConferenceObject |
|
| Ano: 2011 |
URL: http://hdl.handle.net/10198/6072 |
| |
|
| |
|
| |
|
|
| Froufe, Hugo J.C.; Abreu, Rui M.V.; Ferreira, Isabel C.F.R.. |
| In some human cancer cases, the activity of p53 is inhibited by the overexpressed Mdm2 (E3 ubiquitin-protein ligase Mdm2) oncoprotein.1 Mdm2 acts as an ubiquitin ligase, resulting in p53 ubiquitination and subsequent p53 proteasomal degradation. The disruption of the Mdm2-p53 interaction using small-molecule inhibitors is recognized as a promising strategy for anticancer drug design.2 Mushrooms are a vast and yet largely untapped source of powerful new pharmaceutical products. In particular, and most importantly for modern medicine, they represent an unlimited source of compounds with antitumor and immunostimulating properties.3 In this study, a total of 85 LMW (low molecular weight) compounds present in mushrooms were used in a protein-ligand docking... |
| Tipo: ConferenceObject |
|
| Ano: 2011 |
URL: http://hdl.handle.net/10198/6074 |
| |
|
|
| Peixoto, Daniela; Calhelha, Ricardo C.; Dias, Sofia; Froufe, Hugo J.C.; Abreu, Rui M.V.; Ferreira, Isabel C.F.R.; Queiroz, Maria João R.P.. |
| When over expressed or mutated, protein tyrosine kinases become potent oncoproteins that cause deregulated cell growth angiogenesis and metastasis. Because of these characteristics, they are targets for small molecule inhibitors in the treatment of cancer. Recently some thieno[3,2-c]pyridine 1,3-diarylurea derivatives were prepared as VEGFR-2 (vascular endothelium growth factor receptor-2) inhibitors.1 Here we present the synthesis of methyl 3-[4-(3-arylureido)phenylamino]thieno[3,2-b]pyridine-2-carboxylates 2 in excellent yields, by reaction of the methyl 3-(4-aminophenylamino)thieno[3,2-b]pyridine-2-carboxylate 1, prepared also by us, with different arylisocyanates (Scheme). |
| Tipo: ConferenceObject |
|
| Ano: 2011 |
URL: http://hdl.handle.net/10198/6006 |
| |
|
|
| Peixoto, Daniela; Dias, Sofia; Froufe, Hugo J.C.; Abreu, Rui M.V.; Ferreira, Isabel C.F.R.; Queiroz, Maria João R.P.. |
| The membrane receptor tyrosine kinases (RTKs), possess both extracellular and intracellular domains and selectively catalyze the phosphorylation of tyrosine hydroxyl groups in response to binding of certain extracellular growth factors. RTK signalling pathways are normally highly regulated, yet their over-activation has been shown to promote the growth, survival, and metastasis of cancer cells, and has been associated with the progression of various human cancers. Recently some thieno[3,2-c]pyridine 1,3-diarylurea derivatives were prepared as VEGFR-2 (vascular endothelium growth factor receptor-2) inhibitors.1 Here we present the synthesis of methyl 3-amino-6-[4 or 3 or 2-(3-arylureido)phenyl]thieno[3,2-b]pyridine-2-carboxylates 2 by reaction of the methyl... |
| Tipo: ConferenceObject |
|
| Ano: 2011 |
URL: http://hdl.handle.net/10198/6075 |
| |
|
|
| Abreu, Rui M.V.; Froufe, Hugo J.C.; Queiroz, Maria João R.P.; Ferreira, Isabel C.F.R.. |
| Background: Virtual screening of small molecules using molecular docking has become an important tool in drug discovery. However, large scale virtual screening is time demanding and usually requires dedicated computer clusters. There are a number of software tools that perform virtual screening using AutoDock4 but they require access to dedicated Linux computer clusters. Also no software is available for performing virtual screening with Vina using computer clusters. In this paper we present MOLA, an easy-to-use graphical user interface tool that automates parallel virtual screening using AutoDock4 and/or Vina in bootable non-dedicated computer clusters. Implementation: MOLA automates several tasks including: ligand preparation, parallel AutoDock4/Vina... |
| Tipo: Article |
|
| Ano: 2010 |
URL: http://hdl.handle.net/10198/3040 |
| |
|
| |
|
| |
|
| |
|
|
| Froufe, Hugo J.C.; Abreu, Rui M.V.; Ferreira, Isabel C.F.R.. |
| Wild mushrooms have become attractive as a source of physiologically beneficial compounds including antioxidants such as phenolic compounds and tocopherols. The concentrations of antioxidant compounds (phenolics and -tocopherol) and EC50 values of antioxidant activity (concentration required to achieve 50% of radical scavenging activity and lipid peroxidation inhibition, or 0.5 of absorbance in reducing power) were analyzed by partial least square (PLS) regression analysis. Three QCAR (Quantitative Composition-Activity Relationship) models were constructed and their robustness and predictability were verified by internal and external cross-validation methods. Antioxidant activity correlated well with phenolics and -tocopherol contents, the major... |
| Tipo: Article |
Palavras-chave: Wild mushrooms; Phenolics; Alpha-tocopherol; Antioxidant activity; QCAR; PLS. |
| Ano: 2011 |
URL: http://hdl.handle.net/10198/6271 |
| |
|
|
| Abreu, Rui M.V.; Froufe, Hugo J.C.; Ferreira, Isabel C.F.R.; Queiroz, Maria João R.P.. |
| Angiogenesis is the process of new blood vessel formation from pre-existing vascular networks by capillary sprouting, and plays an important role in the pathogenesis of several disorders including cancer, proliferative retinopathies and rheumatoid arthritis. A key regulatory pathway of angiogenesis is mediated by the vascular endothelial growth factor (VEGF) and its cell membrane tyrosine kinase receptor VEGFR-2 (also know as KDR kinase) [1]. Several VEGFR-2 inhibitors have emerged as promising anti-angiogenic agents for possible treatment against a wide variety of cancers including: sorafenib, sunitinib, and pazopanib, that have been approved for the treatment of advanced renal cell carcinoma. Several scaffolds have been studied for anti-VEGFR-2 activity... |
| Tipo: ConferenceObject |
|
| Ano: 2011 |
URL: http://hdl.handle.net/10198/6082 |
| |
|
|
| Froufe, Hugo J.C.; Abreu, Rui M.V.; Ferreira, Isabel C.F.R.. |
| Mushrooms represent an unlimited source of compounds with antitumor and immunostimulating properties and mushroom intake as been shown to reduce the risk of breast cancer. A large number of LMW (low molecular weight) compounds present in mushrooms have been identified including: phenolic acids, flavonoids, tocopherols, carotenoids, sugars and fatty acids. In order to evaluate which wild mushroom LMW compounds may be involved in anti-breast cancer activity we selected a representative dataset of 43 LMW compounds and performed molecular docking against 3 known protein targets involved in breast cancer (Aromatase, Estrone Sulfatase and 17β-HSD-1) using AutoDock4 as docking software. The estimated inhibition constants for all LMW compounds were determined and... |
| Tipo: Article |
Palavras-chave: Mushrooms; Nutraceuticals; Breast cancer; Molecular docking; AutoDock4. |
| Ano: 2011 |
URL: http://hdl.handle.net/10198/6032 |
| |
|
|
| Froufe, Hugo J.C.; Abreu, Rui M.V.; Ferreira, Isabel C.F.R.. |
| As interacções intermoleculares desempenham um papel essencial nos diversos processos biológicos, sendo fundamental a compreensão destas interacções nos Sectores das Indústrias Farmacêuticas e de Alimentos Funcionais. Os cogumelos representam uma fonte ilimitada de compostos com propriedades antitumorais e imunoestimulantes, e o seu consumo foi já relacionado com a redução do risco de cancro da mama. No presente trabalho, foram desenvolvidos dois estudos in silico com o intuito de compreender algumas das interacções moleculares presentes em cogumelos e responsáveis pela sua bioactividade. A técnica dos Mínimos Quadrados Parciais foi utilizada para avaliar a relação entre o potencial antioxidante (efeitos bloqueadores de radicais livres e poder redutor) e a... |
| Tipo: ConferenceObject |
|
| Ano: 2011 |
URL: http://hdl.handle.net/10198/6067 |
| |
| Registros recuperados: 22 | |
|
|
|
