Abstract
In this paper, a recently reported series of NPS antagonists is further expanded and biologically evaluated. The ligand efficiency and ADMET score concepts were then applied to the newly disclosed 5-phenyl-2-[2-(1-piperidinylcarbonyl) phenyl]-2,3-dihydro-1H-pyrrolo[1,2-c]imidazol-1-ones, to limit the SAR exploration. Important pharmacophoric features were identified suggesting potential way forward for the identification of further developable templates.
Keywords: ADMET score, Ligand efficiency, NPS antagonists, Pharmacophore features
Letters in Drug Design & Discovery
Title:Further Insights in 5-phenyl-2-[2-(1-piperidinylcarbonyl) Phenyl]-2,3- dihydro-1H-pyrrolo[1,2-c]imidazol-1-ones, a Recently Disclosed Class of Neuropeptide S Antagonists
Volume: 10 Issue: 5
Author(s): Adelheid Roth, Anna Maria Capelli, Raffaele Longhi, Federica Tonelli, Luca Tarsi, Dino Montanari, Giorgio Bonanomi, Matteo Biagetti, Emilio Merlo-Pich, Gabriele Costantino, Angelo Giacometti, Romano Di Fabio, Angela Worby, Fabrizio Micheli, Elisa Della Turca, Gian Paolo Vallerini, Chiara Pecchini and Marco Mor
Affiliation:
Keywords: ADMET score, Ligand efficiency, NPS antagonists, Pharmacophore features
Abstract: In this paper, a recently reported series of NPS antagonists is further expanded and biologically evaluated. The ligand efficiency and ADMET score concepts were then applied to the newly disclosed 5-phenyl-2-[2-(1-piperidinylcarbonyl) phenyl]-2,3-dihydro-1H-pyrrolo[1,2-c]imidazol-1-ones, to limit the SAR exploration. Important pharmacophoric features were identified suggesting potential way forward for the identification of further developable templates.
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Roth Adelheid, Maria Capelli Anna, Longhi Raffaele, Tonelli Federica, Tarsi Luca, Montanari Dino, Bonanomi Giorgio, Biagetti Matteo, Merlo-Pich Emilio, Costantino Gabriele, Giacometti Angelo, Di Fabio Romano, Worby Angela, Micheli Fabrizio, Della Turca Elisa, Paolo Vallerini Gian, Pecchini Chiara and Mor Marco, Further Insights in 5-phenyl-2-[2-(1-piperidinylcarbonyl) Phenyl]-2,3- dihydro-1H-pyrrolo[1,2-c]imidazol-1-ones, a Recently Disclosed Class of Neuropeptide S Antagonists, Letters in Drug Design & Discovery 2013; 10 (5) . https://dx.doi.org/10.2174/1570180811310050005
DOI https://dx.doi.org/10.2174/1570180811310050005 |
Print ISSN 1570-1808 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-628X |
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