CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors |
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Authors: | Castellano Sabrina Stefancich Giorgio Ragno Rino Schewe Katarzyna Santoriello Marisabella Caroli Antonia Hartmann Rolf W Sbardella Gianluca |
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Affiliation: | Dipartimento di Scienze Farmaceutiche, Università di Salerno, Via Ponte Don Melillo, I-84084 Fisciano (SA), Italy. |
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Abstract: | 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. |
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