| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1394627 | European Journal of Medicinal Chemistry | 2011 | 13 Pages |
Abstract
⺠We performed electrophysiology and molecular modeling on wild-type and mutated hERG. ⺠Converging results permit to identify residues involved in bupivacaine binding. ⺠Dissimilar binding modes and free energies for both enantiomers were predicted. ⺠Stereoselectivity of hERG binding and block is confirmed at the molecular level.
Keywords
GB/SArapid component of the delayed rectifier potassium currentRMSDIC50IhERGHERGHEK293drug-induced long QT syndromecLQTSIKrStereoselectivityElectrophysiologyelectrocardiogramECGBupivacaineextracellular solutionhuman embryonic kidney 293 cellsCardiotoxicitycongenital long QT syndromeroot mean square deviationwild-typehalf-maximal inhibitory concentrationaction potentialMolecular dockingHERG channelKv channelsVoltage-gated potassium channels
Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
Liliana Sintra Grilo, Pierre-Alain Carrupt, Hugues Abriel, Antoine Daina,