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
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
N-Terminal Finger Stabilizes the S1 Pocket for the Reversible Feline Drug GC376 in the SARS-CoV-2 Mpro Dimer
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Molecular Biology"
DOI: 10.1016/j.jmb.2021.167003
Abstract: The main protease (Mpro, also known as 3CL protease) of SARS-CoV-2 is a high priority drug target in the development of antivirals to combat COVID-19 infections. A feline coronavirus antiviral drug, GC376, has been shown… read more here.
Keywords: protease; drug; cov mpro; sars cov ... See more keywords
Computational insights into tetracyclines as inhibitors against SARS-CoV-2 Mpro via combinatorial molecular simulation calculations
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DOI: 10.1016/j.lfs.2020.118080
Abstract: Abstract The COVID-19 pandemic raised by SARS-CoV-2 is a public health emergency. However, lack of antiviral drugs and vaccine against human coronaviruses demands a concerted approach to challenge the SARS-CoV-2 infection. Under limited resource and… read more here.
Keywords: inhibitor; combinatorial molecular; cov mpro; simulation ... 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
Identification of natural compounds as potent inhibitors of SARS-CoV-2 main protease using combined docking and molecular dynamics simulations
Sign Up to like & getrecommendations! Published in 2021 at "Saudi Journal of Biological Sciences"
DOI: 10.1016/j.sjbs.2021.01.040
Abstract: Coronavirus disease 2019 (COVID-19) has emerged from China and globally affected the entire population through the human-to-human transmission of a newly emerged virus called severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). The genome of SARS-CoV-2… read more here.
Keywords: natural compounds; molecular dynamics; inhibitors sars; cov mpro ... See more keywords
Benchmark of Popular Free Energy Approaches Revealing the Inhibitors Binding to SARS-CoV-2 Mpro
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Chemical Information and Modeling"
DOI: 10.1021/acs.jcim.1c00159
Abstract: The COVID-19 pandemic has killed millions of people worldwide since its outbreak in December 2019. The pandemic is caused by the SARS-CoV-2 virus whose main protease (Mpro) is a promising drug target since it plays… read more here.
Keywords: energy; cov mpro; sars cov; ligand ... See more keywords
Targeting SARS-CoV-2 Main Protease for Treatment of COVID-19: Covalent Inhibitors Structure–Activity Relationship Insights and Evolution Perspectives
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Medicinal Chemistry"
DOI: 10.1021/acs.jmedchem.2c01005
Abstract: The viral main protease is one of the most attractive targets among all key enzymes involved in the SARS-CoV-2 life cycle. Covalent inhibition of the cysteine145 of SARS-CoV-2 MPRO with selective antiviral drugs will arrest… read more here.
Keywords: cov mpro; targeting sars; main protease; covalent ... See more keywords
Aspulvins A–H, Aspulvinone Analogues with SARS-CoV-2 Mpro Inhibitory and Anti-inflammatory Activities from an Endophytic Cladosporium sp.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Natural Products"
DOI: 10.1021/acs.jnatprod.1c01003
Abstract: Eight new aspulvinone analogues, aspulvins A–H (1–8) and aspulvinones D, M, O, and R (9–12), were isolated from cultures of the endophytic fungus Cladosporium sp. 7951. Detailed spectroscopic analyses were conducted to determine the structures… read more here.
Keywords: cov mpro; anti inflammatory; aspulvinone analogues; aspulvins aspulvinone ... See more keywords
Identification of Human Host Substrates of the SARS-CoV-2 Mpro and PLpro Using Subtiligase N-Terminomics
Sign Up to like & getrecommendations! Published in 2023 at "ACS Infectious Diseases"
DOI: 10.1021/acsinfecdis.2c00458
Abstract: The recent emergence of SARS-CoV-2 in the human population has caused a global pandemic. The virus encodes two proteases, Mpro and PLpro, that are thought to play key roles in the suppression of host protein… read more here.
Keywords: mpro plpro; cov mpro; substrates sars; human host ... See more keywords