CYP19 (aromatase): Exploring the scaffold flexibility for novel selective inhibitors
| Autor: | Gianluca Sbardella, Rolf W. Hartmann, Antonia Caroli, Marisabella Santoriello, Katarzyna E. Schewe, Sabrina Castellano, Rino Ragno, Giorgio Stefancich |
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| Přispěvatelé: | S., Castellano, Stefancich, Giorgio, R., Ragno, K., Schewe, M., Santoriello, A., Caroli, R. W., Hartmann, G., Sbardella |
| Jazyk: | angličtina |
| Rok vydání: | 2008 |
| Předmět: |
Antifungal
Quantitative structure–activity relationship Scaffold Antifungal Agents Molecular model Stereochemistry medicine.drug_class Clinical Biochemistry Quantitative Structure-Activity Relationship Pharmaceutical Science Computational biology Ligands Biochemistry Drug Discovery medicine Aromatase Molecular Biology Flexibility (engineering) biology Aromatase Inhibitors Chemistry Organic Chemistry Steroid 17-alpha-Hydroxylase Ligand (biochemistry) Inhibitory potency Drug Design biology.protein Molecular Medicine |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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