Document Detail


Towards a KCC2 blocker pharmacophore model.
MedLine Citation:
PMID:  22608391     Owner:  NLM     Status:  Publisher    
Abstract/OtherAbstract:
A multi-disciplinary approach was used to identify the first pharmacophore model for KCC2 blockers: several physico-chemical studies such as XRD and NMR were combined to molecular modelling techniques, SAR analysis and synthesis of constrained analogues in order to determine a minimal conformational space regrouping few potential bioactive conformations. These conformations were further compared to the conformational space of a different series of KCC2 blockers in order to identify the common pharmacophoric features. The synthesis of more potent analogues in this second series confirmed the usefulness of this KCC2 blocker pharmacophore model.
Authors:
Florence Lebon; Cécile Pégurier; Marie Ledecq; Benoit Mathieu; Nathalie Bosman; Anne Frycia; Sébastien Lengelé; Kashinath Dhurke; Ananda Kumar Kanduluru; Stéphane Meunier; Alain Wagner; Christian Wolff; Laurent Provins
Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2012-4-30
Journal Detail:
Title:  Bioorganic & medicinal chemistry letters     Volume:  -     ISSN:  1464-3405     ISO Abbreviation:  -     Publication Date:  2012 Apr 
Date Detail:
Created Date:  2012-5-21     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  9107377     Medline TA:  Bioorg Med Chem Lett     Country:  -    
Other Details:
Languages:  ENG     Pagination:  -     Citation Subset:  -    
Copyright Information:
Copyright © 2012 Elsevier Ltd. All rights reserved.
Affiliation:
UCB Pharma, UCB NewMedicines, Chemin du Foriest, B-1420 Braine-L'Alleud, Belgium.
Export Citation:
APA/MLA Format     Download EndNote     Download BibTex
MeSH Terms
Descriptor/Qualifier:

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine


Previous Document:  Synthesis and anti-leishmanial activity of 1-aryl-?-carboline derivatives against Leishmania donovan...
Next Document:  Synthesis of chalcone derivatives as potential anti-diabetic agents.