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

作者：Laurini Erik; Zampieri Daniele; Mamolo Maria Grazia; Vio Luciano; Zanette Caterina; Florio Chiara; Posocco Paola; Fermeglia Maurizio; Pricl Sabrina^*

来源：Bioorganic & Medicinal Chemistry Letters, 2010, 20(9): 2954-2957.

DOI：10.1016/j.bmcl.2010.03.009

• 3D-Pharmacophore modeling
• Sigma-2 receptor ligands
• Catalyst

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.

• 出版日期2010-5-1