3D Homology Model of Sigma1 Receptor

4noThis 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.reservedmixedLaurini, Erik; Marson, Domenico; Fermeglia, Maurizio; Pricl, SabrinaLaurini, Erik; Marson, Domenico; Fermeglia, Maurizio; Pricl, Sabrin