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Hydroxyl radical generation via Fentons reaction might be involved in the progression of these neurodegenerative diseases

Considering that the water molecules were trapped largely in the hydrophobic pockets, often made contacts with or were displaced by the fragments, and did not appear to play a structural role, we anticipated that their displacement with larger non-polar moieties would improve binding of newly designed inhibitors

Dickinson DA, Forman HJ

PMID 34827158