Novel and highly potent histamine H3 receptor ligands. Part 1: withdrawing of hERG activity.
Bioorg Med Chem Lett
; 21(18): 5378-83, 2011 Sep 15.
Article
in En
| MEDLINE
| ID: mdl-21802950
ABSTRACT
Pre-clinical investigation of some aryl-piperidinyl ether histamine H3 receptor antagonists revealed a strong hERG binding. To overcome this issue, we have developed a QSAR model specially dedicated to H3 receptor ligands. This model was designed to be directly applicable in medicinal chemistry with no need of molecular modeling. The resulting recursive partitioning trees are robust (80-85% accuracy), but also simple and comprehensible. A novel promising lead emerged from our work and the structure-activity relationships are presented.
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Main subject:
Trans-Activators
/
Ethers
/
Histamine H3 Antagonists
Type of study:
Prognostic_studies
Limits:
Humans
Language:
En
Journal:
Bioorg Med Chem Lett
Journal subject:
BIOQUIMICA
/
QUIMICA
Year:
2011
Document type:
Article
Affiliation country:
Francia