Luminescent Assay for the Screening of SARS‐CoV‐2 MPro Inhibitors
Sign Up to like & getrecommendations! Published in 2022 at "Chembiochem"
DOI: 10.1002/cbic.202200190
Abstract: Since the outbreak of SARS‐CoV‐2 in December 2019 millions of infections have been reported globally. The viral chymotrypsin‐like main protease (MPro) exhibits a crucial role in viral replication and represents a relevant target for antiviral… read more here.
Keywords: assay screening; screening sars; cov mpro; luminescent assay ... See more keywords
QSAR Modeling of SARS‐CoV Mpro Inhibitors Identifies Sufugolix, Cenicriviroc, Proglumetacin, and other Drugs as Candidates for Repurposing against SARS‐CoV‐2
Sign Up to like & getrecommendations! Published in 2021 at "Molecular Informatics"
DOI: 10.1002/minf.202000113
Abstract: The main protease (Mpro) of the SARS‐CoV‐2 has been proposed as one of the major drug targets for COVID‐19. We have identified the experimental data on the inhibitory activity of compounds tested against the closely… read more here.
Keywords: inhibitors identifies; qsar modeling; mpro inhibitors; cov mpro ... See more keywords
Discovery of natural‐derived Mpro inhibitors as therapeutic candidates for COVID‐19: Structure‐based pharmacophore screening combined with QSAR analysis
Sign Up to like & getrecommendations! Published in 2023 at "Molecular Informatics"
DOI: 10.1002/minf.202200198
Abstract: The main protease (Mpro) is an essential enzyme for the life cycle of SARS‐CoV‐2 and a validated target for treatment of COVID‐19 infection. Structure‐based pharmacophore modeling combined with QSAR calculations were employed to identify new… read more here.
Keywords: based pharmacophore; combined qsar; mpro inhibitors; analysis ... See more keywords
Improved SARS-CoV-2 Mpro inhibitors based on feline antiviral drug GC376: Structural enhancements, increased solubility, and micellar studies
Sign Up to like & getrecommendations! Published in 2021 at "European Journal of Medicinal Chemistry"
DOI: 10.1016/j.ejmech.2021.113584
Abstract: Replication of SARS-CoV-2, the coronavirus causing COVID-19, requires a main protease (Mpro) to cleave viral proteins. Consequently, Mpro is a target for antiviral agents. We and others previously demonstrated that GC376, a bisulfite prodrug with… read more here.
Keywords: improved sars; mpro inhibitors; cov mpro; solubility ... See more keywords
Computational strategies towards developing novel SARS-CoV-2 Mpro inhibitors against COVID-19
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2021.131378
Abstract: The COVID-19 pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) remains to be a serious threat due to the lack of a specific therapeutic agent. Computational methods are particularly suitable for rapidly fight… read more here.
Keywords: strategies towards; computational strategies; mpro inhibitors; cov mpro ... See more keywords
SARS-CoV-2 Main Protease Drug Design, Assay Development, and Drug Resistance Studies
Sign Up to like & getrecommendations! Published in 2022 at "Accounts of Chemical Research"
DOI: 10.1021/acs.accounts.2c00735
Abstract: Conspectus SARS-CoV-2 is the etiological pathogen of the COVID-19 pandemic, which led to more than 6.5 million deaths since the beginning of the outbreak in December 2019. The unprecedented disruption of social life and public… read more here.
Keywords: development; mpro inhibitors; main protease; drug ... See more keywords
Exploration of SARS-CoV-2 Mpro Noncovalent Natural Inhibitors Using Structure-Based Approaches
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DOI: 10.1021/acsomega.2c07259
Abstract: With the emergence of antibody-evasive omicron subvariants (BA.2.12.1, BA.4, and BA.5), which can compromise the efficacy of vaccination, it is of utmost importance to widen the finite therapeutic options for COVID-19. Although more than 600… read more here.
Keywords: mpro noncovalent; mpro inhibitors; based approaches; noncovalent inhibitors ... See more keywords
Non-covalent SARS-CoV-2 Mpro inhibitors developed from in silico screen hits
Sign Up to like & getrecommendations! Published in 2022 at "Scientific Reports"
DOI: 10.1038/s41598-022-06306-4
Abstract: Mpro, the main protease of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), is essential for the viral life cycle. Accordingly, several groups have performed in silico screens to identify Mpro inhibitors that might be… read more here.
Keywords: sars cov; non covalent; cov mpro; covalent sars ... See more keywords
In vitro and in silico studies of SARS-CoV-2 main protease Mpro inhibitors isolated from Helichrysum bracteatum
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DOI: 10.1039/d2ra01213h
Abstract: Discovering SARS-CoV-2 inhibitors from natural sources is still a target that has captured the interest of many researchers. In this study, the compounds (1–18) present in the methanolic extract of Helichrysum bracteatum were isolated, identified,… read more here.
Keywords: mpro inhibitors; cov main; main protease; sars cov ... See more keywords
Bioguided Isolation of Cyclopenin Analogues as Potential SARS-CoV-2 Mpro Inhibitors from Penicillium citrinum TDPEF34
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DOI: 10.3390/biom11091366
Abstract: SARS-CoV-2 virus mutations might increase its virulence, and thus the severity and duration of the ongoing pandemic. Global drug discovery campaigns have successfully developed several vaccines to reduce the number of infections by the virus.… read more here.
Keywords: penicillium citrinum; mpro inhibitors; citrinum tdpef34; cov mpro ... See more keywords