Evaluación in silico de toxinas peptídicas de origen animal con efecto antagonista sobre la actividad del Receptor - N-Metil-D-Aspatarto (NMDA)
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Date
2021-06-23
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Universidad Antonio Nariño
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Degree obtained
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http://purl.org/coar/resource_type/c_bdcc
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Abstract
The N-methyl-D-aspartate receptor (NMDAR) constitutes the main subtype of glutamate
receptors, involved in physiological processes such as neuronal development, transmission
and synaptic plasticity, and in numerous pathological conditions such as ischemic damage,
chronic pain, psychosis, and other degenerative disorders. The NMDAR has a structural
topology consisting of four subunits mainly of the GluN1 and GluN2(A-B) type. The
ionotropic NMDAR corresponds to an ionic-cation channel, permeable mainly to calcium
ion. An excessive increase in calcium influx via NMDAR generates excitotoxicity which
translates into neuronal damage and death. Based on the above, it is essential to search for
molecules that generate interaction with the receptor and specifically with the GluN2B
subunit, modulate the activity of the receptor-channel and can be recycled or eliminated by
the organism. The present thesis proposal proposes the design and in silico characterization
of peptides derived from animal toxins with potential targeting of the NMDAR.
The design included the use of computational analysis tools, alignments and docking and
molecular dynamics simulations, which allowed predicting the three-dimensional structure
of a series of peptide toxins and proposing peptides derived from them as potential NMDAR
ligands