CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors

Several derivatives out of a series of antifungal agents exhibited a good inhibitory potency against aromatase as well as a fairly good selectivity toward CYP17, even if lacking H-bond accepting substituents. Their common structural feature is a flexible backbone that did not fit into previously reported CYP19 models. Thus, a ligand-based approach was exploited to develop a novel statistically robust, self-consistent and predictive 3D-QSAR model herein proposed as a helpful tool to design new aromatase inhibitors.

Sabrina Castellano, Giorgio Stefancich, Rino Ragno, Katarzyna Schewed, Marisabella Santoriello, Antonia Caroli, Rolf W. Hartmann, Gianluca Sbardella
September 15, 2008
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