Thursday, January 17, 2013
Publication and contact
Computational algorithm for
protein-coupled receptor (GPCR)
ligands against a predefined set of targets
A computational algorithm
could be used to design GPCR ligands that modulate a predefined set of
targets. Starting from Aricept donepezil, which has moderate dopamine
D4 receptor activity and low dopamine
D2 receptor activity, an automated algorithm predicted
compounds that would have increased D2 receptor activity and blood brain
barrier (BBB) permeability. The eight highest-ranked molecules all retained
D4 receptor activity and had greater D2 receptor affinity than Aricept, and
one compound tested in mice also penetrated the BBB. Next steps include
determining whether the method can be used for lead optimization and applied
to other target families.
Inc. and Eisai Co. Ltd. market the acetylcholinesterase
inhibitor Aricept for Alzheimer's disease (AD).
Published online Jan. 17, 2013
Patented; licensed to Ex
Besnard, J. et al.
Nature; published online Dec. 12, 2012;
Contact: Andrew L. Hopkins, University of Dundee,
All contents Copyright © 1993-2017 BioCentury Publications, Inc. ALL RIGHTS RESERVED. All use of this Web Site and its contents is governed by the BioCentury User Agreement
. The contents of this Web Site are protected under U.S. and foreign copyright and intellectual property laws, and no part of this Web Site or its contents may be photocopied, reproduced or retransmitted in any form without the written consent of BioCentury, which may be requested from Reprints/Permissions
. BioCentury®; The Bernstein Report on BioBusiness™; The BioCentury 100™; The Clear Route to ROI™; Because Real Intelligence is Hard to Find™; BCIQ™; and BioPharma's Knowledge Center™; are trademarks of BioCentury Publications, Inc., P.O. Box 1246, San Carlos, CA 94070. SciBX® and SciBX: Science-Business eXchange® are trademarks of Nature America, Inc. that are jointly used by BioCentury Publications, Inc. and Nature America, Inc.
Thanks for purchasing this article.
Please bookmark this url for future reference.
We have also sent you a confirming e-mail with a receipt and this same url for your
close [ X ]