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The implementation of NMR techniques for measuring interactions between small organic molecules/inhibitors and enzyme Acetylcholinesterase: a step towards Alzheimer´s control
(Universidade Federal de São Carlos, 2015-05-21) Urooj, Nazish; Ferreira, Antonio Gilberto; https://lattes.cnpq.br/3676462220401452; https://lattes.cnpq.br/3755336620511157
The inhibition of the acetylcholinesterase (AChE) might be an excellent therapy in controlling Alzheimer’s disease as stated by the cholinergic hypothesis. In this context, the inhibitors of AChE, are of medical and commercial paramount interest as therapeutics for Alzheimer’s disease and as pesticides. However, the conformational changes in inhibitors with AChE complex facilitate the rational design of some novel inhibitors with increased potency and specificity. Therefore, solution state NMR is a novel approach that seems to fulfil almost all conditions necessary to investigate the AChE-inhibitor complex. In this perspective, a combined strategy of STD, Tr-NOESY, DOSY, and docking simulations were applied to compare the bindings of four synthetic coumarin derivatives to tacrine for their binding potentials. Intriguingly, one of them (compound 1) was found to have not only the stronger affinity than the control but could bind with three sites. Furthermore, a competition of three inhibitors (gallic acid, 4- methylumbelliferone, and scopoletin) was performed by taking help of the STD NMR experiments. Interestingly, none of them was competing for the some particular binding site. Nevertheless, in titration studies gallic acid was found best based on dissociation constant values. Moreover, an ethyl acetate fraction and its water suspension of the Terminalia Chebula RETZ, fruit extract was studied. Three compounds (4-hydroxycinnamic acid, Ethyl-4-hydroxycinnamate and lupeol) were seen to involve in interaction that were later recognized by 2D NMR and ESI mass techniques. Moreover, for the first time in the Federal University of São Carlos, these NMR methods for the determination of the bound conformation of any inhibitors towards AChE using NMR spectroscopy have been applied.
Desindustrialização no Brasil: uma análise estrutural
(Universidade Federal de São Carlos, 2015-05-21) Rossi, Caroline Gut; Diegues Junior, Antonio Carlos; https://lattes.cnpq.br/0594188577645269; https://lattes.cnpq.br/5883982605540344
The Brazilian industry has become in recent decades, which created an intense debate about a possible process of deindustrialization faced by the Brazilian economy. Some authors believe that the country has faced a process of deindustrialization, while others argue that this is just a period of adjustment faced by the economy, which does not characterize this fact. The fall of the Manufacturing Industry's participation in the Gross Domestic Product of the country, coupled with the increase in exports of commodities by Brazil are among the main factors that lead to believe that the country has lost links in the production chain and specializing in goods with little degree of differentiation. In this context, this paper aims to analyze the main data of the Brazilian industry to identify the process of deindustrialization pointed in Brazil. We wanted to understand what the main lines of argument in the debate on the subject, and understand how they behaved the main economic aggregates of the country and other economies in the world, producing a structural analysis on the subject.