References
- YuFHCatterallWAOverview of the voltage-gated sodium channel familyGenome Biol20034320712620097
- CatterallWAGoldinALWaxmanSGInternational Union of Pharmacology. XLVII. Nomenclature and structure-function relationships of voltage-gated sodium channelsPharmacol Rev200557439740916382098
- RodenDMBalserJRGeorgeALJrAndersonMECardiac ion channelsAnnu Rev Physiol20026443147511826275
- BrackenburyWJIsomLLNa channel β subunits: overachievers of the ion channel familyFront Pharmacol201125322007171
- CatterallWAStructure and function of voltage-gated sodium channels at atomic resolutionExp Physiol2014991355124097157
- CampuzanoOBeltrán-AlvarezPIglesiasAScornikFPérezGBrugadaRGenetics and cardiac channelopathiesGenet Med201012526026720386317
- RemmeCACardiac sodium channelopathy associated with SCN5A mutations: electrophysiological, molecular and genetic aspectsJ Physiol2013591174099411623818691
- PayandehJScheuerTZhengNCatterallWAThe crystal structure of a voltage-gated sodium channelNature2011475735635335821743477
- O’ReillyAOEberhardtEWeidnerCAlzheimerCWallaceBALampertABisphenol A binds to the local anesthetic receptor site to block the human cardiac sodium channelPLoS One201277e4166722848561
- MoreauAGosselin-BadaroudinePDelemotteLKleinMLChahineMGating pore currents are defects in common with two Nav1.5 mutations in patients with mixed arrhythmias and dilated cardiomyopathyJ Gen Physiol201514529310625624448
- PayandehJGamal El-DinTMScheuerTZhengNCatterallWACrystal structure of a voltage-gated sodium channel in two potentially inactivated statesNature2012486740113513922678296
- PoulinHBruhovaITimourQFluoxetine blocks Nav1.5 channels via a mechanism similar to that of class 1 antiarrhythmicsMol Pharmacol201486437838925028482
- O’LearyMEChahineMMTSET modification of D4S6 cysteines stabilize the fast inactivated state of Nav1.5 sodium channelsFront Pharmacol2015611826150789
- WangLMengXYuchiZDe novo mutation in the SCN5A gene associated with Brugada syndromeCell Physiol Biochem20153662250226226279430
- KelleyLAMezulisSYatesCMWassMNSternbergMJThe Phyre2 web portal for protein modeling, prediction and analysisNat Protoc201510684585825950237
- PettersenEFGoddardTDHuangCCUCSF Chimera – a visualization system for exploratory research and analysisJ Comput Chem200425131605161215264254
- RoyAKucukuralAZhangYI-TASSER: a unified platform for automated protein structure and function predictionNat Protoc20105472573820360767
- MahdaviSKuyucakSMolecular dynamics study of binding of μ-conotoxin GIIIA to the voltage-gated sodium channel Nav1.4PLoS One201498e10530025133704
- YangYDib-HajjSDZhangJStructural homology modeling and mutant cycle analysis predict pharmacoresponsiveness of a Na(V)1.7 mutant channelNat Commun20123118623149731
- WuELChengXJoSCHARMM-GUI membrane builder toward realistic biological membrane simulationsJ Comput Chem201435271997200425130509
- HuangJMacKerellADJrCHARMM36 all-atom additive protein force field: validation based on comparison to NMR dataJ Comput Chem201334252135214523832629
- CallenbergKMChoudharyOPde ForestGLGoharaDWBakerNAGrabeMAPBSmem: a graphical interface for electrostatic calculations at the membranePLoS One201059 pii: e12722
- DolinskyTJCzodrowskiPLiHPDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulationsNucleic Acids Res200735Web Server issueW522W52517488841
- RouxBMacKinnonRThe cavity and pore helices in the KcsA K+ channel: electrostatic stabilization of monovalent cationsScience1999285542410010210390357
- LuHSchultenKThe key event in force-induced unfolding of Titin’s immunoglobulin domainsBiophys J2000791516510866937
- ColizziFPerozzoRScapozzaLRecanatiniMCavalliASingle-molecule pulling simulations can discern active from inactive enzyme inhibitorsJ Am Chem Soc2010132217361737120462212
- GiorginoTDe FabritiisGA high-throughput steered molecular dynamics study on the free energy profile of ion permeation through gramicidin AJ Chem Theory Comput2011761943195026596455
- IzrailevSStepaniantsSBalseraMOonoYSchultenKMolecular dynamics study of unbinding of the avidin-biotin complexBiophys J1997724156815819083662
- KalyaanamoorthySChenYPA steered molecular dynamics mediated hit discovery for histone deacetylasesPhys Chem Chem Phys20141683777379124429775
- KóňaJMinozziMTorreVCarloniPA gate mechanism indicated in the selectivity filter of the potassium channel KscATheor Chem Acc2007117511211129
- KosztinDIzrailevSSchultenKUnbinding of retinoic acid from its receptor studied by steered molecular dynamicsBiophys J1999761 Pt 11881979876133
- MahdaviSKuyucakSMechanism of ion permeation in mammalian voltage-gated sodium channelsPLoS One2015108e013300026274802
- PhillipsJCBraunRWangWScalable molecular dynamics with NAMDJ Comput Chem200526161781180216222654
- MujtabaMGWangSYWangGKPrenylamine block of Nav1.5 channel is mediated via a receptor distinct from that of local anestheticsMol Pharmacol200262241542212130695
- BeyderAStregePRBernardCFarrugiaGMembrane permeable local anesthetics modulate Na(V)1.5 mechanosensitivityChannels (Austin)20126430831622874086
- PlessSAGalpinJDFrankelAAhernCAMolecular basis for class Ib anti-arrhythmic inhibition of cardiac sodium channelsNat Commun2011235121673672
- Anwar-MohamedABarakatKHBhatRA human ether-á-go-go-related (hERG) ion channel atomistic model generated by long supercomputer molecular dynamics simulations and its use in predicting drug cardiotoxicityToxicol Lett2014230338239225127758
- HuGWangKGroenendykJHuman structural proteome-wide characterization of cyclosporine A targetsBioinformatics201430243561356625172926
- BarakatKHAnwar-MohamedATuszynskiJARobinsMJTyrrellDLHoughtonMA refined model of the HCV NS5A protein bound to daclatasvir explains drug-resistant mutations and activity against divergent genotypesJ Chem Inf Model201555236237324730573
- BarakatKHLawJPrunottoADetailed computational study of the active site of the hepatitis C viral RNA polymerase to aid novel drug designJ Chem Inf Model201353113031304324116674
- BarakatKHHuzilJTJordanKEEvangelinosCHoughtonMTuszynskiJA computational model for overcoming drug resistance using selective dual-inhibitors for aurora kinase A and its T217D variantMol Pharm201310124572458924094068
- AhmedMBarakatKBaby steps toward modelling the full human programmed death-1 (PD-1) pathwayReceptors Clin Investig20152315e825
- Salomon-FerrerRCaseDAWalkerRCAn overview of the amber biomolecular simulation packageWIREs Comput Mol Sci201332198210
- GaultonABellisLJBentoAPChEMBL: a large-scale bioactivity database for drug discoveryNucleic Acids Res201240Database issueD1100D110721948594
- AssadiHRShenasaHHeidarySShenasaMAntiarrhythmic effects of ranolazine in patients with cardiac arrhythmiasJACC20146312A336
- CollinsworthKAKalmanSMHarrisonDCThe clinical pharmacology of lidocaine as an antiarrhythymic drugCirculation1974506121712304609637
- AndrikopoulosGKPastromasSTzeisSFlecainide: current status and perspectives in arrhythmia managementWorld J Cardiol201572768525717355
- MillerBR3rdMcGeeTDJrSwailsJMHomeyerNGohlkeHRoitbergAEMMPBSA.py: an efficient program for end-state free energy calculationsJ Chem Theory Comput2012893314332126605738
- OnufrievABashfordDCaseDAModification of the generalized Born model suitable for macromoleculesJ Phys Chem B20001041537123720
- LovellSCDavisIWArendallWB3rdStructure validation by Cα geometry: φ, ψ and Cβ deviationProteins200350343745012557186
- KulleperumaKSmithSMMorganDConstruction and validation of a homology model of the human voltage-gated proton channel hHV1J Gen Physiol2013141444546523530137
- DudevTLimCIon selectivity strategies of sodium channel selectivity filtersAcc Chem Res201447123580358725343535
- CatterallWASwansonTMStructural basis for pharmacology of voltage-gated sodium and calcium channelsMol Pharmacol201588114115025848093
- XiaMLiuHLiYYanNGongHThe mechanism of Na+/K+ selectivity in mammalian voltage-gated sodium channels based on molecular dynamics simulationBiophys J2013104112401240923746512
- McNultyMMEdgertonGBShahRDHanckDAFozzardHALipkindGMCharge at the lidocaine binding site residue Phe-1759 affects permeation in human cardiac voltage-gated sodium channelsJ Physiol2007581Pt 274175517363383
- LipkindGMFozzardHAVoltage-gated Na channel selectivity: the role of the conserved domain III lysine residueJ Gen Physiol2008131652352918504313
- HilberKSandtnerWZarrabiTSelectivity filter residues contribute unequally to pore stabilization in voltage-gated sodium channelsBiochemistry20054442138741388216229476
- ChakrabartiNIngCPayandehJZhengNCatterallWAPomèsRCatalysis of Na+ permeation in the bacterial sodium channel Na(V)AbProc Natl Acad Sci U S A201311028113311133623803856
- NaylorCEBagnérisCDeCaenPGMolecular basis of ion permeability in a voltage-gated sodium channelEMBO J201635882083026873592
- PennyCJRahmanTSulaAMilesAJWallaceBAPatelSIsolated pores dissected from human two-pore channel 2 are functionalSci Rep201663842627941820
- ZhangXXiaMLiYAnalysis of the selectivity filter of the voltage-gated sodium channel Na(v)RhCell Res201323340942223247626
- LiYLiuHXiaMGongHLysine and the Na+/K+ selectivity in mammalian voltage-gated sodium channelsPLoS One2016119e016241327584582
- SunYMFavreISchildLMoczydlowskiEOn the structural basis for size-selective permeation of organic cations through the voltage-gated sodium channel. Effect of alanine mutations at the DEKA locus on selectivity, inhibition by Ca2+ and H+, and molecular sievingJ Gen Physiol199711066937159382897
- VarmaSSaboDRempeSBK+/Na+ selectivity in K channels and valinomycin: over-coordination versus cavity-size constraintsJ Mol Biol20083761132218155244
- KöpferDASongCGrueneTSheldrickGMZachariaeUde GrootBLIon permeation in K+ channels occurs by direct Coulomb knock-onScience2014346620735235525324389
- CsányiEBodaDGillespieDKristófTCurrent and selectivity in a model sodium channel under physiological conditions: dynamic Monte Carlo simulationsBiochim Biophys Acta20121818359260022080102
- NimigeanCMAllenTWOrigins of ion selectivity in potassium channels from the perspective of channel blockJ Gen Physiol2011137540541321518829
- GongXLiJXuKWangJYangHA controllable molecular sieve for Na+ and K+ ionsJ Am Chem Soc201013261873187720102186
- HilleBThe hydration of sodium ions crossing the nerve membraneProc Natl Acad Sci U S A19716822802825277069
- BernardiRCMeloMCRSchultenKEnhanced sampling techniques in molecular dynamics simulations of biological systemsBiochim Biophys Acta20151850587287725450171
- KalyaanamoorthySChenYPModelling and enhanced molecular dynamics to steer structure-based drug discoveryProg Biophys Mol Biol2014114312313623827463
- ChanKWTabuenaDXieCShryockJBelardinelliLSmith-MaxwellCContribution of local anesthetic binding site residues F1760 and Y1767 to block of the cardiac Na+ channel, hNaV1.5, by ranolazineBiophys J20121023324a
- BeyderAStregePRReyesSRanolazine decreases mechano-sensitivity of the voltage-gated sodium ion channel Na(v)1.5: a novel mechanism of drug actionCirculation2012125222698270622565935
- WangDWMistryAMKahligKMKearneyJAXiangJGeorgeALJrPropranolol blocks cardiac and neuronal voltage-gated sodium channelsFront Pharmacol2010114421833183
- CarboniMZhangZSNepliouevaVStarmerCFGrantAOSlow sodium channel inactivation and use-dependent block modulated by the same domain IV S6 residueJ Membr Biol2005207210711716477531
- ShaoJTannerSWThompsonNCheathamTEClustering molecular dynamics trajectories: 1. Characterizing the performance of different clustering algorithmsJ Chem Theory Comput2007362312233426636222
- AntzelevitchCBelardinelliLZygmuntACElectrophysiological effects of ranolazine, a novel antianginal agent with antiarrhythmic propertiesCirculation2004110890491015302796
- PlouvierBBeatchGNJungGLSynthesis and biological studies of novel 2-aminoalkylethers as potential antiarrhythmic agents for the conversion of atrial fibrillationJ Med Chem200750122818284117506538
- RamosEO’LearyMEState-dependent trapping of flecainide in the cardiac sodium channelJ Physiol2004560Pt 1374915272045
- ChakkaNBregmanHDuBDiscovery and hit-to-lead optimization of pyrrolopyrimidines as potent, state-dependent Na(v)1.7 antagonistsBioorg Med Chem Lett20122252052206222318156
- FredjSSampsonKJLiuHKassRSMolecular basis of ranolazine block of LQT-3 mutant sodium channels: evidence for site of actionBr J Pharmacol20061481162416520744
- HanckDANikitinaEMcNultyMMFozzardHALipkindGMSheetsMFUsing lidocaine and benzocaine to link sodium channel molecular conformations to state-dependent antiarrhythmic drug affinityCirc Res2009105549249919661462
- SheetsMFFozzardHALipkindGMHanckDASodium channel molecular conformations and antiarrhythmic drug affinityTrends Cardiovasc Med2010201162120685573
- FozzardHASheetsMFHanckDAThe sodium channel as a target for local anesthetic drugsFront Pharmacol201126822053156
- MartinLJCorryBLocating the route of entry and binding sites of benzocaine and phenytoin in a bacterial voltage gated sodium channelPLoS Comput Biol2014107e100368824992293
- BoiteuxCVorobyovIFrenchRJFrenchCYarov-YarovoyVAllenTWLocal anesthetic and antiepileptic drug access and binding to a bacterial voltage-gated sodium channelProc Natl Acad Sci U S A201411136130571306225136136