Research in molecular dynamics supported by UMH Supercomputing Cluster
New works relative to the ability of oleacein, a biophenol secoiridoid naturally present in extra virgin olive oil (EVOO), to target lysine-specific histone demethylase 1A (LSD1) have been supported by the UMH Supercomputing Cluster (Castleblack). It is a new paper published in which is collected computing work done in the cluster of the UMH.
Authors of this research combined in silico docking and molecular dynamics approaches coupled to experimental validation to identify LSD1 as a novel epigenetic target of the bioactive EVOO polyphenol oleacein.
The paper titled has been titled as “Extra Virgin Olive Oil Contains a Phenolic Inhibitor of the Histone Demethylase LSD1/KDM1A”, and has been published at Nutrients Journal (DOI https://doi.org/10.3390/nu11071656)
Reference: Cuyàs E, Gumuzio J, Lozano-Sánchez J, Carreras D, Verdura S, Llorach-Parés L, Sanchez-Martinez M, Selga E, Perez GJ, Scornik FS, Brugada R, Bosch-Barrera J, Segura-Carretero A, Martin AG, Encinar JA, Menendez JA. Extra Virgin Olive Oil Contains a Phenolic Inhibitor of the Histone Demethylase LSD1/KDM1A. Nutrients. 2019 Jul 19; 11(7). doi: https://doi.org/10.3390/nu11071656