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971.
972.
Anderson Henrique Lima Jerônimo Lameira Cláudio Nahum Alves 《Structural chemistry》2012,23(1):147-152
The trans-Sialidase from Trypanosoma cruzi (TcTS) might be a key enzyme in search of new and more effective anti-Trypanosoma cruzi agents. In this report, molecular docking and quantum mechanical/molecular mechanical (QM/MM) molecular dynamics (MD) simulations
were employed to determine the binding mode of the three TcTS inhibitors, two quinolinones derivatives (DHQ and THQ) and DANA.
The results show that the sulfone group from THQ plays an important role in the protein-inhibitor interactions. In addition,
a detailed analysis of the interactions of these inhibitors with key residues inside the binding pocket of TcTS has been carried
out using AM1/MM. The residues Asp59, Asp247, Arg35, Arg245, and Arg314 are appointed as key residues to affinity energy of
the complexes studied. Finally, the B3LYP/MM and AM1/MM methods were used to calculate global interaction energy, in order
to understand the potential of these inhibitors. Among the inhibitors studied, THQ is confirmed as the most efficient one
for inhibiting TcTS. 相似文献
973.
974.
975.
Evandro Galvão Tavares Menezes Juliana Ribeiro do Carmo Aline Galvão Tavares Menezes José Guilherme Lembi Ferreira Alves Carlos José Pimenta Fabiana Queiroz 《Applied biochemistry and biotechnology》2013,169(2):673-687
Coffee is one of the most important agricultural products in Brazil. More than 50 % of the coffee fruit is not used for the production of commercial green coffee and is therefore discarded, usually ending up in the environment. The goal of this work was to select an efficient process for obtaining coffee pulp extract and to evaluate the use of this extract in bioethanol production. The effects of heat treatment and trituration on the yield and composition of the extract were investigated by measuring the amounts of reducing sugars, starch, pectin, and phenolic compounds. The extraction process was most efficient at room temperature using grinding followed by pressing. Five different fermentation media were tested: sugarcane juice or molasses diluted with water or with coffee pulp extract and a medium with only coffee pulp extract. Batch fermentations were carried out at 30 °C for 24 h, and samples were taken to obtain measurements of the total reducing sugars, cell count, and ethanol concentration. The addition of coffee pulp extract did not influence the fermentation or yeast viability, and it can thus be mixed with sugarcane juice or molasses for the production of bioethanol, with a yield of approximately 70 g/L. 相似文献
976.
Silva Luís Antônio Dantas Cintra Emílio Ramos Alonso Ellen Cristine Pineze Alves Guilherme Liberato Lima Eliana Martins Taveira Stephânia Fleury da Cunha-Filho Marcílio Sérgio Soares Marreto Ricardo Neves 《Journal of Thermal Analysis and Calorimetry》2017,130(3):1593-1604
Journal of Thermal Analysis and Calorimetry - Carvedilol (CARV) is a widely used drug, which has shown low oral bioavailability. Lipid-based drug delivery systems (LBDDS) appear as promising... 相似文献
977.
Larissa Araújo Rolim Flávia Cássia Maria dos Santos Luíse Lopes Chaves Maria Luíza Carneiro Moura Gonçalves José Lourenço Freitas-Neto André Luiz da Silva do Nascimento José Lamartine Soares-Sobrinho Miracy Muniz de Albuquerque Maria do Carmo Alves de Lima Pedro José Rolim-Neto 《Journal of Thermal Analysis and Calorimetry》2015,120(1):807-816
978.
979.
Gutierrez Luisa F. Nope Eliana Rojas Hugo A. Cubillos Jairo A. Sathicq Ángel G. Romanelli Gustavo P. Martínez José J. 《Research on Chemical Intermediates》2018,44(9):5559-5568
Research on Chemical Intermediates - This study focuses on the search of new applications of polyoxometalates known as decaniobate ions [Nb10O28]6?. The decaniobates can be used as basic... 相似文献