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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 Nogueira

We 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.

Date: 2020   |   Origin: Oasisbr

Explaining RANKL inhibition by OPG through quantum biochemistry computations an...

Sousa, Bruno Lopes de; Barroso Neto, Ito Liberato; Oliveira, Evanildo Ferreira; Fonseca, Emerson Alberto da; Lima Neto, Pedro de; Ladeira, Luiz Orlando

Osteoporosis is a degenerative disease associated with excessive bone resorption, a natural process performed by osteoclasts. In turn, osteoclast maturation is critically regulated by the receptor activator of nuclear factor kB ligand (RANKL), its signalling receptor (RANK), and its decoy receptor osteoprotegerin (OPG). The critical role of the protein triad, RANK–RANKL–OPG, in osteoclastogenesis has made their...

Date: 2019   |   Origin: Oasisbr

Resolução da estrutura tridimensional de uma lectina de sementes de Canavalia g...

Barroso Neto, Ito Liberato

Plant Lectins can be defined as non-immune origin proteins having at least one non-catalytic domain that binds reversibly in a specific fashion to a mono-or oligosaccharide. The legume lectin family group represents the best studied of these proteins, in particular highlighted the subtribe Diocleinae, which has the best characterized representative, ConA. Lectins Diocleinae show a high degree of structural simi...

Date: 2016   |   Origin: Oasisbr

Aspectos estruturais do efeito vasorelaxante de lectinas de leguminosas

Barroso Neto, Ito Liberato

Lectins are multiactive proteins that have at least one domain capable of recognizing specific carbohydrates reversibly without changing them. The legume lectin family is a group of this protein class further studied, in particular highlighted the subtribe Diocleinae. These lectins have a high degree of structural similarity, but it does not follow the biological activities. This variability must reside in deta...

Date: 2016   |   Origin: Oasisbr

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