Letters in Drug Design & Discovery

G. Perry
University of Texas
San Antonio, TX
USA
Email: lddd@benthamscience.org

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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

Author(s): Gabriele Costantino, Marco Mor, Chiara Pecchini, Gian Paolo Vallerini, Elisa Della Turca, Fabrizio Micheli, Angela Worby, Romano Di Fabio, Angelo Giacometti, Adelheid Roth, Emilio Merlo-Pich, Matteo Biagetti, Giorgio Bonanomi, Dino Montanari, Luca Tarsi, Federica Tonelli, Raffaele Longhi, Anna Maria Capelli.

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

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Article Details

VOLUME: 10
ISSUE: 5
Year: 2013
Page: [396 - 401]
Pages: 6
DOI: 10.2174/1570180811310050005
Price: $58