Chapter title |
3D Homology Model of Sigma1 Receptor
|
---|---|
Chapter number | 35 |
Book title |
Sigma Proteins: Evolution of the Concept of Sigma Receptors
|
Published in |
Handbook of experimental pharmacology, January 2017
|
DOI | 10.1007/164_2017_35 |
Pubmed ID | |
Book ISBNs |
978-3-31-965851-3, 978-3-31-965853-7
|
Authors |
Erik Laurini, Domenico Marson, Maurizio Fermeglia, Sabrina Pricl, Laurini, Erik, Marson, Domenico, Fermeglia, Maurizio, Pricl, Sabrina |
Abstract |
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. |
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