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Updated: Jul 28, 2026

Bioluminescence Imaging of Heme Oxygenase-1 Upregulation in the Gua Sha Procedure
Published on: August 28, 2009
Comprehensive data on a 2D-QSAR model for Heme Oxygenase isoform 1 inhibitors
Emanuele Amata1, Agostino Marrazzo1, Maria Dichiara1
1Department of Drug Sciences, University of Catania, Viale A. Doria 6, 95125 Catania, Italy.
Abstract:
The data have been obtained from the Heme Oxygenase Database (HemeOxDB) and refined according to the 2D-QSAR requirements. These data provide information about a set of more than 380 Heme Oxygenase-1 (HO-1) inhibitors. The development of the 2D-QSAR model has been undertaken with the use of CORAL software using SMILES, molecular graphs and hybrid descriptors (SMILES and graph together). The 2D-QSAR model regressions for HO-1 half maximal inhibitory concentration (IC50) expressed as pIC50 (pIC50=-LogIC50) are here included. The 2D-QSAR model was also employed to predict the HO-1 pIC50values of the FDA approved drugs that are herewith reported.
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