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Is NMR Fragment Screening Fine-Tuned to Assess Druggability of Protein−Protein ...

Modulation of protein−protein interactions (PPIs) with small molecules has been hampered by a lack of lucid methods capable of reliably identifying high-quality hits. In fragment screening, the low ligand efficiencies associated with PPI target sites pose significant challenges to fragment binding detection. Here, we investigate the requirements for ligand-based NMR techniques to detect rule-of-three compliant ...

Chemical ecology of echinoderms : impact of environment and diet in metabolomic...

The phylum Echinodermata constitutes a successful and widespread group comprising Asteroidea, Ophiuroidea, Echinoidea, Holothuroidea and Crinodeia. Nowadays, marine organisms are being given a lot of attention in drug discovery pipelines. In these studies, sponges and nudibranchs are frequently addressed, however an increasing number of works focus their attention in echinoderms. Given the fact that many of the...

Studies on the toxicity of an aqueous suspension of C60 nanoparticles using a b...

The increasing use of C60 nanoparticles and the diversity of their applications in industry and medicine has led to their production in a large scale. C60 release into wastewaters and the possible accumulation in the environment has raised concerns about their ecotoxicological impact. In the present study, an aqueous suspension of C60 nanoparticles was prepared and its potential toxicity studied in laboratory, ...

Unveiling the Interaction of Vanadium Compounds with Human Serum Albumin by Usi...

The binding of the VV oxidation products of two vanadium( IV) compounds, [VO(dmpp)2] and [VO(maltolato)2], which have shown promising anti-diabetic properties, to human serum albumin (HSA) in aqueous aerobic solution has been studied by 1H saturation transfer difference (STD) NMR spectroscopy and computational docking studies. Group epitope mapping and docking simulations indicate a preference of HSA binding to...

Interventions for nausea and vomiting in early pregnancy

The interaction of La3+ complexes of DOTA/DTPA-glycoconjugates with the RCA120 ...

The study of ligand-receptor interactions using high resolution NMR techniques, namely the Saturation Transfer Difference (STD), is presented for the recognition process between La(III) complexes of DOTA mono(amide) and DTPA bis(amide) glycoconjugates and the galactose specific lectin Ricinus Communis agglutinin (RCA120). This new class of Gd(III)-based potential targeted MRI contrast agents (CAs), bearing one ...

Ubiquitin associated protein 1 is a risk factor for frontotemporal lobar degene...

http://www.sciencedirect.com/science/article/B6T09-4VKMW0R-1/2/c38ac7e3dcb87f1e42d35a151a3f69b2

Solidificação da zona de fusão na soldagem do AISI 304 com inconel 600 por lase...

Neste trabalho estudou-se a morfologia de solidificação da zona de fusão, numa junta formada a partir de materiais dissimilares, composta por aço inoxidável austenítico AISI 304 e por liga de níquel Inconel 600, soldada com laser pulsado de Nd:YAG. Os parâmetros do feixe laser e do sistema óptico foram selecionados, visando obter uma solda com penetração total e bom acabamento superficial. A caracterização micr...

A new world natural vegetation map for global change studies

We developed a new world natural vegetation map at 1 degree horizontal resolution for use in global climate models. We used the Dorman and Sellers vegetation classification with inclusion of a new biome: tropical seasonal forest, which refers to both deciduous and semi-deciduous tropical forests. SSiB biogeophysical parameters values for this new biome type are presented. Under this new vegetation classificatio...

Electrochemical, morphological and microstructural characterization of carbon f...

The electrochemical and microstructural properties of carbon film electrodes made from carbon film electrical resistors of 1.5, 15, 140 [Omega] and 2.0 k[Omega] nominal resistance have been investigated before and after electrochemical pre-treatment at +0.9 V vs SCE, in order to assess the potential use of these carbon film electrodes as electrochemical sensors and as substrates for sensors and biosensors. The ...