A Review of the Current Landscape of SARS-CoV-2 Main Protease Inhibitors: Have We Hit the Bullseye Yet?
| Autor: | Santiago Garcia-Vallve, Bryan Percy Saldivar Espinoza, Gerard Pujadas, Júlia Mestres-Truyol, Guillem Macip, Pol Garcia-Segura |
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| Jazyk: | angličtina |
| Rok vydání: | 2022 |
| Předmět: |
Databases
Pharmaceutical QH301-705.5 protease inhibitors Review Virus Replication Antiviral Agents Catalysis Inorganic Chemistry 3CL-pro inhibitors Inhibitory Concentration 50 Physical and Theoretical Chemistry Biology (General) Molecular Biology QD1-999 Coronavirus 3C Proteases Spectroscopy Enzyme Assays SARS-CoV-2 Organic Chemistry COVID-19 General Medicine M-pro inhibitors virtual screening computational chemistry Computer Science Applications Chemistry |
| Zdroj: | International Journal of Molecular Sciences, Vol 23, Iss 259, p 259 (2022) International Journal of Molecular Sciences |
| ISSN: | 1661-6596 1422-0067 |
| Popis: | In this review, we collected 1765 severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) M-pro inhibitors from the bibliography and other sources, such as the COVID Moonshot project and the ChEMBL database. This set of inhibitors includes only those compounds whose inhibitory capacity, mainly expressed as the half-maximal inhibitory concentration (IC50) value, against M-pro from SARS-CoV-2 has been determined. Several covalent warheads are used to treat covalent and non-covalent inhibitors separately. Chemical space, the variation of the IC50 inhibitory activity when measured by different methods or laboratories, and the influence of 1,4-dithiothreitol (DTT) are discussed. When available, we have collected the values of inhibition of viral replication measured with a cellular antiviral assay and expressed as half maximal effective concentration (EC50) values, and their possible relationship to inhibitory potency against M-pro is analyzed. Finally, the most potent covalent and non-covalent inhibitors that simultaneously inhibit the SARS-CoV-2 M-pro and the virus replication in vitro are discussed. |
| Databáze: | OpenAIRE |
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