Molecular modeling and dynamics of serotonin 5-HT3 receptor and ligands

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The problem of ligand binding to certain receptor proteins is of central importance in cellular signaling, but it is still unresolved at a molecular level. In order to enhance our understanding of the molecular mechanisms we used a biophysical approach to study a serotonin-gated ion channel. The molecular model of 5-HT3 receptor extracellular domain was created using computer-based homology modeling. The docking method was used for building complexes of the 5-HT3 receptor and ligands. Some different activities were investigated by the method of molecular dynamics.

Keywords: membrane receptors, ligands, molecular dynamics
Citation in English: Popinako A.V. Molecular modeling and dynamics of serotonin 5-HT3 receptor and ligands // Computer Research and Modeling, 2011, vol. 3, no. 3, pp. 329-334
Citation in English: Popinako A.V. Molecular modeling and dynamics of serotonin 5-HT3 receptor and ligands // Computer Research and Modeling, 2011, vol. 3, no. 3, pp. 329-334
DOI: 10.20537/2076-7633-2011-3-3-329-334
Citations: 1 (RSCI).

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