Published October 3, 2020 | Version v0
Journal article Open

Structure-Activity Relationship and Mechanistic Studies for a Series of Cinnamylhydroxamate Derived Histone Deacetylase (HDAC) Inhibitors

  • 1. Department of Pharmacy, Faculty of Pharmaceutical Sciences, University of São Paulo, São Paulo, Brazil
  • 2. Department of Pharmacology, Institute of Biomedical Sciences, University of São Paulo, São Paulo, Brazil.
  • 3. Department of Oncology and Pneumonology, Internal Medicine VIII, University Hospital Tübingen, Otfried-Müller-Straße 10, DE 72076, Tübingen, Germany. School of Pharmacy, Faculty of Health Sciences, University of Eastern Finland, 70211 Kuopio, Finland
  • 4. Laboratory of Molecular Biology applied to Diagnosis (LBMAD), Department of Pharmacy, Faculty of Pharmaceutical Sciences, University of São Paulo, São Paulo, SP, Brazil

Description

HDAC1 molecular dynamics simulations with co-crystallized ligand and proposed novel cinnamyl-hydroxamate anticancer agents.

Details regarding the simulation method can be found in the respective publication.

Files

HDAC1_11b.zip

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