Predictive in silico modeling for hERG channel blockers.
Drug Discov Today
; 10(2): 149-55, 2005 Jan 15.
Article
in En
| MEDLINE
| ID: mdl-15718164
ABSTRACT
hERG-mediated sudden death as a side effect of non-antiarrhythmic drugs has been receiving increased regulatory attention. Perhaps owing to the unique shape of the ligand-binding site and its hydrophobic character, the hERG channel has been shown to interact with pharmaceuticals of widely varying structure. Several in silico approaches have attempted to predict hERG channel blockade. Some of these approaches are aimed primarily at filtering out potential hERG blockers in the context of virtual libraries, others involve understanding structure-activity relationships governing hERG-drug interactions. This review summarizes the most recent efforts in this emerging field.
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Collection:
01-internacional
Database:
MEDLINE
Main subject:
Pharmaceutical Preparations
/
Models, Molecular
/
Potassium Channels, Voltage-Gated
/
Cation Transport Proteins
/
Potassium Channel Blockers
Type of study:
Etiology_studies
/
Prognostic_studies
/
Risk_factors_studies
Limits:
Humans
Language:
En
Journal:
Drug Discov Today
Journal subject:
FARMACOLOGIA
/
TERAPIA POR MEDICAMENTOS
Year:
2005
Document type:
Article
Affiliation country:
United States