| Literature DB >> 26531150 |
Sandeep Gawaskar1, Dirk Schepmann2, Alessandro Bonifazi3, Dina Robaa4, Wolfgang Sippl4, Bernhard Wünsch5.
Abstract
Benzo[7]annulen-7-amines 7 without further polar substituents have been reported as conformationally restricted Ro 25-6981 analogs and show unexpectedly high GluN2B affinity. Herein the corresponding 2-NO2 derivatives 8 were synthesized and pharmacologically evaluated. NO2 derivatives 8 show 5- to 10-fold higher GluN2B affinity than the unsubstituted ligands 7. Docking studies of ligands 7c and 8c reveal an important contribution of the 2-NO2-substituent in determining the binding pose and modulating the GluN2B affinity.Entities:
Keywords: 2-Nitrobenzo[7]annulen-7-amines; Conformational restriction; Docking studies; GluN2B antagonists; NMDA receptor; Selectivity; Structure affinity relationships
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Year: 2015 PMID： 26531150 DOI： 10.1016/j.bmcl.2015.10.076
Source DB: PubMed Journal: Bioorg Med Chem Lett ISSN： 0960-894X Impact factor: 2.823