Abstract
Methylation of arginine residues in histones is an important mechanism of epigenetic regulation, and its dysregulation results in human diseases such as cancer and brain disorders. This study reveals the catalytic mechanism of the demethylation of methylated arginine R3 in H4 histone by a non-heme Fe(II) and 2-Oxoglutarate-Dependent Histone demethylase 4E (KDM4E). Applying QM/MM and MD, we explored both C–H and N–H activations pathways. Importantly, the study revealed that by applying external electric fields (EEFs), we can modulate the C–H and N–H selectivities. More information can be found in the Full Paper by C. Z. Christov et al. (DOI: 10.1002/chem.202101174).
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