Vorinostat, a possible alternative to metronidazole for the treatment of amebiasis caused by Entamoeba histolytica.

S MontañoL A Constantino-JonapaY Sixto-LópezV I Hernández-RamírezA Hernández-CeruelosL C Romero-QuezadaJ C Ruvalcaba-LedezmaPatricia Talamás-RohanaL López-Contreras

Published in: Journal of biomolecular structure & dynamics (2019)

AbbreviationsSAHAsuberoylanilide hydroxamic acidEhHDACHistone Deacetylase from Entamoeba histolyticaRgRadius of gyrationRMSDroot-mean-square deviationRMSFroot-mean-square fluctuationMDSmolecular dynamics simulationVMDVisual Molecular DynamicsNAMDNanoscale Molecular DynamicsPBCperiodic boundary conditionsPMEParticle Mesh Ewald3Dthree-dimensionalCαalpha carbonFDAFood and Drug AdministrationnsnanosecondsGPU CUDAGraphics Processing Unit Compute Unified Device ArchitectureCommunicated by Ramaswamy H. Sarma.

Keyphrases

emergency department
combination therapy
adverse drug
electronic health record