In the present work, molecular dynamics simulation of the ion channel activation of mutant forms of the NMDA receptor was carried out. The bi and triheteromeric forms of the receptor with different compositions of the subunits were analyzed. The conductivity of the ion channel was calculated according to the HOLE program, as well as by analyzing the binding of magnesium ions. The analysis of the structures obtained made it possible to determine the change in the conductivities of the ion channel, which strongly decreased in the case of double point mutations and deletions. The data obtained were used in the hippocampal neural network model in the NEURON package. As a result, it was possible to investigate the effect of mutations encoding the protein subunits of the NMDA receptors on the generation of theta and gamma rhythms.
CNS, hippocampus, gene mutations, modelling
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