The Mpro Structure-Based Modifications of Ebselen Derivatives for Improved Antiviral Activity Against SARS-CoV-2 Virus

The SARS‐CoV‐2 main protease (Mpro): Structure, function, and emerging therapies for COVID‐19

“…Beyond that, ebselen could react with cysteine residues of several viral proteases, such as SARS‐CoV‐2 PL pro and 3C pro of enterovirus A71 and enterovirus D68, which was suggested as a multi‐target antiviral agent 149 . Some ebselen and ebsulfur derivatives were synthesized as SARS‐CoV‐2 3CL pro inhibitors, and 1i and 2k were proved as potent and covalent inhibitors, with K i values of 0.031 and 0.078 μM, respectively 150,151 …”

“…149 Some ebselen and ebsulfur derivatives were synthesized as SARS-CoV-2 3CL pro inhibitors, and 1i and 2k were proved as potent 4 The structures and half-maximal inhibitory concentration (IC 50 ) values for representative non-peptidomimetic SARS-CoV-2 3CL pro inhibitors, as well as their half-maximal effect concentration (EC 50 ) values for anti-SARS-CoV-2 and covalent inhibitors, with K i values of 0.031 and 0.078 μM, respectively. 150,151 Mitsuya and coworkers have been devoted to developing effective 3CL pro inhibitors for fighting SARS-CoV and SARS-CoV-2. In particular, they suggested that carbonyl indole could function as a warhead to modify Cys145 of 3CL pro , and several carbonyl-indole-containing compounds were identified as covalent inhibitors, such as GRL-0920.…”