GRL-1720 is an irreversible, covalent inhibitor of SARS-CoV-2 Mpro that blocks virus replication. GRL-1720 protects VeroE6 cells form SARS-CoV-2WK-521 infection. It shows no significant cytotoxicity to several cell lines.
Irreversible, covalent inhibitor of SARS-CoV-2 Mpro that blocks virus replication
Journal of chemical theory and computation, 16(11), 7160-7172 (2020-10-23)
In the context of drug-receptor binding affinity calculations using molecular dynamics techniques, we implemented a combination of Hamiltonian replica exchange (HREM) and a novel nonequilibrium alchemical methodology, called virtual double-system single-box, with increased accuracy, precision, and efficiency with respect to
Design, synthesis and biological evaluation of a series of 5-chloropyridine ester-derived severe acute respiratory syndrome-coronavirus chymotrypsin-like protease inhibitors is described. Position of the carboxylate functionality is critical to potency. Inhibitor 10 with a 5-chloropyridinyl ester at position 4 of the
Except remdesivir, no specific antivirals for SARS-CoV-2 infection are currently available. Here, we characterize two small-molecule-compounds, named GRL-1720 and 5h, containing an indoline and indole moiety, respectively, which target the SARS-CoV-2 main protease (Mpro). We use VeroE6 cell-based assays with
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