Journal
BIOORGANIC & MEDICINAL CHEMISTRY
Volume 16, Issue 18, Pages 8349-8358Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.bmc.2008.08.046
Keywords
aromatase inhibitors; CYP19; 3D-QSAR; ligand-based drug design; antifungal agents
Funding
- Regione Campania [LR 5/02]
- Ministero dell'Universita e della Ricerca Scientifica e Tecnologica [PRIN 2005]
- Universita di Salerno, Italy
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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. (C) 2008 Elsevier Ltd. All rights reserved.
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