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

S Montaño, L A Constantino-Jonapa, Y Sixto-López, V I Hernández-Ramírez, A Hernández-Ceruelos, L C Romero-Quezada, J C Ruvalcaba-Ledezma, P Talamás-Rohana, L López-Contreras

Journal of biomolecular structure & dynamics 2020 Feb

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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.

Citation

S Montaño, L A Constantino-Jonapa, Y Sixto-López, V I Hernández-Ramírez, A Hernández-Ceruelos, L C Romero-Quezada, J C Ruvalcaba-Ledezma, P Talamás-Rohana, L López-Contreras. Vorinostat, a possible alternative to metronidazole for the treatment of amebiasis caused by Entamoeba histolytica. Journal of biomolecular structure & dynamics. 2020 Feb;38(2):597-603