In this work we developed a 3D-pharmacophore model for r2 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.
A 3D-Pharmacophore Model for σ2 Receptors Based on a Series of Substituted Benzo[d]oxazol-2(3H)-one Derivatives
LAURINI, ERIK;ZAMPIERI, DANIELE;MAMOLO, MARIA GRAZIA;VIO, LUCIANO;ZANETTE, CATERINA;FLORIO, CHIARA;POSOCCO, PAOLA;FERMEGLIA, MAURIZIO;PRICL, SABRINA
2010-01-01
Abstract
In this work we developed a 3D-pharmacophore model for r2 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.File in questo prodotto:
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