PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 34031399-6 2021 A free selenium atom bound with cysteine of catalytic dyad has been revealed in crystallographic structures of Mpro with ebselen and MR6-31-2 suggesting hydrolysis of the enzyme bound organoselenium covalent adduct and formation of a phenolic by-product, confirmed by mass spectrometry. Selenium 7-15 NEWENTRY Severe acute respiratory syndrome-related coronavirus 111-115 34208928-7 2021 Based on docking experiments driven by experimental evidence, we propose a non-covalent mechanism for Mpro inhibition in which a hydrogen bond between the selenium atom and Gln189 residue in the catalytic pocket could explain the higher Mpro activity of 2d and, as a result, its better antiviral profile. Selenium 155-163 NEWENTRY Severe acute respiratory syndrome-related coronavirus 102-106 34208928-7 2021 Based on docking experiments driven by experimental evidence, we propose a non-covalent mechanism for Mpro inhibition in which a hydrogen bond between the selenium atom and Gln189 residue in the catalytic pocket could explain the higher Mpro activity of 2d and, as a result, its better antiviral profile. Selenium 155-163 NEWENTRY Severe acute respiratory syndrome-related coronavirus 237-241 32984400-0 2020 Understanding Selenium and Glutathione as Antiviral Factors in COVID-19: Does the Viral Mpro Protease Target Host Selenoproteins and Glutathione Synthesis? Selenium 14-22 NEWENTRY Severe acute respiratory syndrome-related coronavirus 88-92 34575955-3 2021 The potential energy surfaces for the formation of the Se-S covalent bond mediated by EBS and EBS-OH on Mpro are discussed in detail. Selenium 55-57 NEWENTRY Severe acute respiratory syndrome-related coronavirus 104-108