Identification of Potentially Potent Heme Oxygenase 1 Inhibitors through 3D‐QSAR Coupled to Scaffold‐Hopping Analysis

@article{Floresta2018IdentificationOP,
  title={Identification of Potentially Potent Heme Oxygenase 1 Inhibitors through 3D‐QSAR Coupled to Scaffold‐Hopping Analysis},
  author={Giuseppe Floresta and E. Amata and Maria Dichiara and A. Marrazzo and L. Salerno and G. Romeo and O. Prezzavento and V. Pittal{\`a} and A. Rescifina},
  journal={ChemMedChem},
  year={2018},
  volume={13}
}
A 3D quantitative structure–activity relationship (3D‐QSAR) model for predicting the activity of heme oxygenase 1 (HO‐1) inhibitors was constructed with the aim of providing a useful tool for the identification, design, and optimization of novel HO‐1 inhibitors. The model was built using a set of 222 HO‐1 inhibitors recovered from the Heme Oxygenase Database (HemeOxDB) and developed with the software Forge. The present model showed high statistical quality, as confirmed by its robust predictive… Expand
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