Synthesis, modelling and NK1 antagonist evaluation of a non-rigid cyclopropane-containing analogue of CP-99,994

Authors
Aitken, DJ Ongeri, S Vallee-Goyet, D Gramain, JC Husson, HP
Citation
Dj. Aitken et al., Synthesis, modelling and NK1 antagonist evaluation of a non-rigid cyclopropane-containing analogue of CP-99,994, BIOORG MED, 11(5), 2001, pp. 659-661
Citations number
10
Categorie Soggetti
Chemistry & Analysis
Journal title
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
ISSN journal
0960894X → ACNP
Volume
11
Issue
5
Year of publication
2001
Pages
659 - 661
Database
ISI
SICI code
0960-894X(20010312)11:5<659:SMANAE>2.0.ZU;2-2
Abstract
A non-rigid cyclopropane-containing diamine analogue of CP-99,994 was synth esised and was found to have only moderate NK1 receptor binding affinity. M olecular dynamics calculations of the conformational space of the former co mpound gave good correlation between observed activity and a recently publi shed pharmacophore model, lending predictive value to the latter. (C) 2001 Elsevier Science Ltd. All rights reserved.