S2RSLDB: a comprehensive manually curated, internet-accessible database of the sigma-2 receptor selective ligands

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• 作者：Giovanni Nastasi ; Carla Miceli ; Valeria Pittalà…
• 关键词：Sigma receptor ; Sigma ; 2 receptor ; Online ligand database ; Structure search ; S2RSLDB ; 2D plot ; 3D plot ; Drug design ; Central nervous system multiparameter optimization ; Lipinski’s rule of five
• 刊名：Journal of Cheminformatics
• 出版年：2017
• 出版时间：December 2017
• 年：2017
• 卷：9
• 期：1
• 全文大小：1550KB
• 刊物类别：Physics and Astronomy
• 刊物主题：Computer Applications in Chemistry; Documentation and Information in Chemistry; Theoretical and Computational Chemistry; Computational Biology/Bioinformatics;
• 出版者：Springer International Publishing
• ISSN：1758-2946
• 卷排序：9

文摘

BackgroundSigma (σ) receptors are accepted as a particular receptor class consisting of two subtypes: sigma-1 (σ₁) and sigma-2 (σ₂). The two receptor subtypes have specific drug actions, pharmacological profiles and molecular characteristics. The σ₂ receptor is overexpressed in several tumor cell lines, and its ligands are currently under investigation for their role in tumor diagnosis and treatment. The σ₂ receptor structure has not been disclosed, and researchers rely on σ₂ receptor radioligand binding assay to understand the receptor’s pharmacological behavior and design new lead compounds.