PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 33915460-6 2021 Notably, the molecules containing furane substituent displayed higher inhibition against Mpro, followed by Ebselen 1i (IC50 = 0.074 muM) and Ebsulfur 2k (IC50 = 0.11 muM). ebselen 107-114 NEWENTRY Severe acute respiratory syndrome-related coronavirus 89-93 34031399-3 2021 An organoselenium drug called ebselen has been demonstrated to have potent Mpro inhibition and antiviral activity. ebselen 30-37 NEWENTRY Severe acute respiratory syndrome-related coronavirus 75-79 34031399-4 2021 We have examined the binding modes of ebselen and its derivative in Mpro via high resolution co-crystallography and investigated their chemical reactivity via mass spectrometry. ebselen 38-45 NEWENTRY Severe acute respiratory syndrome-related coronavirus 68-72 33400086-10 2022 The crystal structural and docking results have shown that Ebselen, N3, TDZD-8 and alpha-ketoamide (13b) inhibitors can bind to the substrate-binding pocket of COVID-19 Mpro. ebselen 59-66 NEWENTRY Severe acute respiratory syndrome-related coronavirus 169-173 34575955-1 2021 The inhibition mechanism of the main protease (Mpro) of SARS-CoV-2 by ebselen (EBS) and its analog with a hydroxyl group at position 2 of the benzisoselenazol-3(2H)-one ring (EBS-OH) was studied by using a density functional level of theory. ebselen 70-77 NEWENTRY Severe acute respiratory syndrome-related coronavirus 47-51 32911432-6 2020 Here, our aim was to investigate small molecules, including lopinavir and ritonavir, alpha-ketoamide 13b, and ebselen, for their ability to interact with the Mpro. ebselen 110-117 NEWENTRY Severe acute respiratory syndrome-related coronavirus 158-162 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. ebselen 86-89 NEWENTRY Severe acute respiratory syndrome-related coronavirus 104-108 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. ebselen 94-97 NEWENTRY Severe acute respiratory syndrome-related coronavirus 104-108 34575955-6 2021 The knowledge of the inhibition mechanism of Mpro by the small protease inhibitors EBS or EBS-OH can enlarge the possibilities for designing more potent and selective inhibitor-based drugs to be used in combination with other antiviral therapies. ebselen 83-86 NEWENTRY Severe acute respiratory syndrome-related coronavirus 45-49 32598985-7 2020 In further research on the inhibition of Mpro in SARS-CoV-2, ebselen can serve as a promising lead compound, if the inhibitory effect is confirmed in intact cells in vivo. ebselen 61-68 NEWENTRY Severe acute respiratory syndrome-related coronavirus 41-45 34575955-1 2021 The inhibition mechanism of the main protease (Mpro) of SARS-CoV-2 by ebselen (EBS) and its analog with a hydroxyl group at position 2 of the benzisoselenazol-3(2H)-one ring (EBS-OH) was studied by using a density functional level of theory. ebselen 79-82 NEWENTRY Severe acute respiratory syndrome-related coronavirus 47-51