Application Examples for Synthetic Compound Screening

The application of pharmacophore-based screening of chemical databases has led to the discovery of several synthetic leads for promising drug targets. The following two application examples represent a typical structure-based and ligand-based pharmacophore modeling study, respectively. 

In accordance with protein-ligand interactions described in literature for small 17(3-H S D1 inhibitors, the li5r model was refined by deleting hydrogen bond features and by incorporating hydrophobic features. Subsequently, the modified li5r model and the 

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