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Literature DB >> 20347592

A 3D-pharmacophore model for sigma2 receptors based on a series of substituted benzo[d]oxazol-2(3H)-one derivatives.

Erik Laurini¹, Daniele Zampieri, Maria Grazia Mamolo, Luciano Vio, Caterina Zanette, Chiara Florio, Paola Posocco, Maurizio Fermeglia, Sabrina Pricl.

Abstract

In this work we developed a 3D-pharmacophore model for sigma(2) receptor based on 19 benzooxazolone derivatives. The best 3D-pharmacophore hypothesis, consisting of five features: a positive ionizable, a hydrogen bond acceptor, a hydrophobic aromatic, a hydrophobic aliphatic, and a generic hydrophobic provided a 3D-QSAR model with a correlation coefficient of 0.97 and a RMSD of 0.48. 2010 Elsevier Ltd. All rights reserved.

Entities: Chemical Disease

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Year: 2010 PMID： 20347592 DOI： 10.1016/j.bmcl.2010.03.009

Source DB: PubMed Journal: Bioorg Med Chem Lett ISSN： 0960-894X Impact factor: 2.823

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Cited

7 in total

1. Norbenzomorphan Framework as a Novel Scaffold for Generating Sigma 2 Receptor/PGRMC1 Subtype-Selective Ligands.

Authors: James J Sahn; Timothy R Hodges; Jessica Z Chan; Stephen F Martin
Journal: ChemMedChem Date: 2016-02-24 Impact factor: 3.466

2. Homology Model and Docking-Based Virtual Screening for Ligands of the σ1 Receptor.

Authors: Erik Laurini; Valentina Dal Col; Maria Grazia Mamolo; Daniele Zampieri; Paola Posocco; Maurizio Fermeglia; Luciano Vio; Sabrina Pricl
Journal: ACS Med Chem Lett Date: 2011-08-27 Impact factor: 4.345

3. Effect of structural modification in the amine portion of substituted aminobutyl-benzamides as ligands for binding σ1 and σ2 receptors.

Authors: Kuo-Hsien Fan; John R Lever; Susan Z Lever
Journal: Bioorg Med Chem Date: 2011-02-12 Impact factor: 3.641

A 3D-pharmacophore model for sigma2 receptors based on a series of substituted benzo[d]oxazol-2(3H)-one derivatives.

1. Norbenzomorphan Framework as a Novel Scaffold for Generating Sigma 2 Receptor/PGRMC1 Subtype-Selective Ligands.

2. Homology Model and Docking-Based Virtual Screening for Ligands of the σ1 Receptor.

3. Effect of structural modification in the amine portion of substituted aminobutyl-benzamides as ligands for binding σ1 and σ2 receptors.

4. Synthesis, Cytotoxicity Evaluation, and Computational Insights of Novel 1,4-Diazepane-Based Sigma Ligands.

5. Identification of the gene that codes for the σ₂ receptor.

6. Norbenzomorphan Scaffold: Chemical Tool for Modulating Sigma Receptor-Subtype Selectivity.

7. Recent Advances in the Development of Sigma Receptor Ligands as Cytotoxic Agents: A Medicinal Chemistry Perspective.