5 documents found, page 1 of 1
An ab initio explanation of the activation and antagonism strength of an AMPA-s...
Martins, Ana Caroline Vieira; Lima Neto, Pedro de; Barroso Neto, Ito Liberato; Cavada, Benildo Sousa; Freire, Valder NogueiraWe report quantum biochemistry calculations focusing on the binding pocket of the glutamate receptor co-crystallized with agonists (full and partial) and a antagonist. The calculated electronic binding energy follows the order AMPA . glutamate. kainate . DNQX, which explains published experimental data on GluR2 activation and antagonism strength.
Quantum molecular modelling of ibuprofen bound to human serum albumin
Dantas, Diego de Sousa; Oliveira, Jonas Ivan Nobre; Lima Neto, José Xavier de; Costa, Roner Ferreira da; Bezerra, Eveline MatiasThe binding of the nonsteroidal anti-inflammatory drug ibuprofen (IBU) to human serum albumin (HSA) is investigated using density functional theory (DFT) calculations within a fragmentation strategy. Crystallographic data for the IBU–HSA supramolecular complex shows that the ligand is confined to a large cavity at the subdomain IIIA and at the interface between the subdomains IIA and IIB, whose binding sites ar...
O uso de mapas conceituais no ensino de Física
Gomes, Francisco Halyson Ferreira; Caetano, Ewerton Wagner Santos; Alves, Francisco Régis VieiraResumo: O objetivo deste trabalho é investigar os conhecimentos sobre Gravitação de alunos da disciplina Física Geral 2 do curso de Licenciatura em Física do Instituto Federal de Educação do Ceará IFCE. Para isso utilizamos como instrumento de pesquisa o uso de mapas conceituais. Conhecer o que o aluno já sabe sobre determinado assunto é um dos princípios da Teoria da Aprendizagem Significativa (TAS) de David A...
Controlled release of Nor-β-lapachone by PLGA microparticles : a strategy for i...
Costa, Marcilia P.; Feitosa, Anderson C. S.; Oliveira, Fátima C. E.; Cavalcanti, Bruno C.; Silva, Eufrânio N. da; Dias, Gleiston G.Prostate cancer is one of the most common malignant tumors in males and it has become a major worldwide public health problem. This study characterizes the encapsulation of Nor-β-lapachone (NβL) in poly(d,l-lactide-co-glycolide) (PLGA) microcapsules and evaluates the cytotoxicity of the resulting drug-loaded system against metastatic prostate cancer cells. The microcapsules presented appropriate morphological f...
Cálculo ab initio de propriedades optoeletrônicas da L-alanina
Caetano, Ewerton Wagner SantosAb initio calculations for the molecule and crystal of L-alanine are presented. Geometry optimizations were performed for three L-alanine molecular conformers using three different methods: Hartree-Fock approximation with a 6-31++G(d,p) basis, Hartree-Fock approximation with a 6-311++G(3d,3p) basis and Density Functional Theory (B3LYP exchange-correlation functional) with a 6-31++G(d,p) basis. From the geometry...