HIGHLIGHTS
- who: Andrea Madabeni and collaborators from the Departamento de Bioquimica e Biologia Molecular, Universidade Federal de Santa Maria (UFSM) have published the Article: Mechanistic Insight into SARS-CoV-2 Mpro Inhibition by Organoselenides: The Ebselen Case Study, in the Journal: (JOURNAL)
- what: For the first time the authors report on a mechanistic investigation in an enzyme for the formation of the covalent -S-Se- bond between ebselen and a key enzymatic cysteine. The authors employ a joint molecular docking and density functional theory (DFT) approach, in which the speed of docking is used to provide . . .
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