3D Homology Model of Sigma1 Receptor.

This chapter presents the three-dimensional (3D) model of the Sigma1 receptor protein as obtained from homology modeling techniques. We show the applicability of this structure to docking-based virtual screening and discuss combined in silico/in vitro mutagenesis studies performed to validate the structural features of the Sigma1 receptor model and to qualify/quantify the prominent role of specific amino acid residues in ligand binding. The validation of the virtual 3D Sigma1 receptor model and its reliable applicability to docking-based virtual screening is of significance for rational ligand design, even in light of the recently reported crystal structure for the Sigma1 receptor.

Citation

Erik Laurini, Domenico Marson, Maurizio Fermeglia, Sabrina Pricl. 3D Homology Model of Sigma1 Receptor. Handbook of experimental pharmacology. 2017;244:27-50

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PMID: 28667476

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