A Novel Class of Schistosoma mansoni Histone Deacetylase 8 (HDAC8) Inhibitors Identified by Structure-Based Virtual Screening and In Vitro Testing

A Novel Class of Schistosoma mansoni Histone Deacetylase 8 (HDAC8) Inhibitors Identified by Structure-Based Virtual Screening and In Vitro Testing

A promising means in the search of new small molecules for the treatment of schistosomiasis (amongst other parasitic ailments) is by targeting the parasitic epigenome. In the present study, a docking based virtual screening procedure using the crystal structure of histone deacetylase 8 from Schistos...

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Bibliographic Details
Main Authors: Conrad V. Simoben, Dina Robaa, Alokta Chakrabarti, Karin Schmidtkunz, Martin Marek, Julien Lancelot, Srinivasaraghavan Kannan, Jelena Melesina, Tajith B. Shaik, Raymond J. Pierce, Christophe Romier, Manfred Jung, Wolfgang Sippl
Format: Article
Language:English
Published: MDPI AG 2018-03-01
Series:Molecules
Subjects:
epigenetics
crystal structure
docking
histone deacetylase (HDAC) inhibitors
schistosomiasis
virtual screening
Online Access:http://www.mdpi.com/1420-3049/23/3/566

Internet

http://www.mdpi.com/1420-3049/23/3/566

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