QSAR Modeling of SARS‐CoV Mpro Inhibitors Identifies Sufugolix, Cenicriviroc, Proglumetacin, and other Drugs as Candidates for Repurposing against SARS‐CoV‐2
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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
Structural Modeling of the SARS-CoV-2 Spike/Human ACE2 Complex Interface can Identify High-Affinity Variants Associated with Increased Transmissibility
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DOI: 10.1016/j.jmb.2021.167051
Abstract: The COVID-19 pandemic has triggered concerns about the emergence of more infectious and pathogenic viral strains. As a public health measure, efficient screening methods are needed to determine the functional effects of new sequence variants.… read more here.
Keywords: human ace2; high affinity; affinity; structural modeling ... See more keywords
Biophysical Modeling of SARS-CoV-2 Assembly: Genome Condensation and Budding
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DOI: 10.3390/v14102089
Abstract: The COVID-19 pandemic caused by the Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) has spurred unprecedented and concerted worldwide research to curtail and eradicate this pathogen. SARS-CoV-2 has four structural proteins: Envelope (E), Membrane (M),… read more here.
Keywords: condensation; modeling sars; biophysical modeling; structural proteins ... See more keywords