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Docking studies in target proteins involved in mechanisms of antibacterial acti...

In 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...

ERBB2 in Cat Mammary Neoplasias Disclosed a Positive Correlation between RNA an...

Human ERBB2 is a proto-oncogene that codes for the erbB-2 epithelial growth factor receptor. In human breast cancer (HBC), erbB-2 protein overexpression has been repeatedly correlated with poor prognosis. In more recent works, underexpression of this gene has been described in HBC. Moreover, it is also recognised that oncogenes that are commonly amplified or deleted encompass point mutations, and some of these ...

Heteroarylether 1,3-diarylureas in the thieno[3,2-d]pyrimidine series as VEGFR2...

Thieno[3,2-b]pyridine arylethers : synthesis and growth inhibitory activity on ...

Synthesis, docking, enzymatic and cellular assays of thieno[3,2-b]pyridine-thio...

Synthesis, growth inhibitory activity on human tumor cell lines and evaluation ...

1-Aryl-3-[4-(thieno[3,2-d]pyrimidin-4-yloxy)phenyl]ureas as VEGFR-2 tyrosine ki...

The 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...

Antimicrobial activity of phenolic compounds identified in wild mushrooms, SAR ...

Aim 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 molec...

VScore: uma plataforma para desenvolvimento de novos fármacos usando screening ...

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...

Aplicação de ferramentas de quimioinformática no desenvolvimento de novos fárma...

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...