AIMC Topic: Coronavirus Papain-Like Proteases

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Human protein interaction networks of ancestral and variant SARS-CoV-2 in organ-specific cells and bodily fluids.

Nature communications Jul 1, 2025
Understanding SARS-CoV-2 human protein-protein interactions (PPIs) and the host response to infection is essential for developing effective COVID-19 antivirals. However, how the ancestral virus and its variants remodel virus-host protein assemblies i...
Mass Spectrometry Cell Line Protein Binding Spike Glycoprotein, Coronavirus Host-Pathogen Interactions Coronavirus Papain-Like Proteases Fibrinogen HEK293 Cells Humans COVID-19 SARS-CoV-2 Protein Interaction Maps
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Applications of Machine Learning Approaches for the Discovery of SARS-CoV-2 PLpro Inhibitors.

Journal of chemical information and modeling Jan 16, 2025
The global impact of SARS-CoV-2 highlights the need for treatments beyond vaccination, given the limited availability of effective medications. While Pfizer introduced , an FDA-approved antiviral targeting the SARS-CoV-2 main protease (Mpro), this st...
SARS-CoV-2 Molecular Docking Simulation Humans Machine Learning COVID-19 Drug Treatment High-Throughput Screening Assays Drug Discovery Antiviral Agents Protease Inhibitors Small Molecule Libraries Coronavirus 3C Proteases Coronavirus Papain-Like Proteases
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Predicting cryptic ligand binding sites based on normal modes guided conformational sampling.

Proteins Dec 5, 2020
To greatly expand the druggable genome, fast and accurate predictions of cryptic sites for small molecules binding in target proteins are in high demand. In this study, we have developed a fast and simple conformational sampling scheme guided by norm...
Coronavirus Papain-Like Proteases Karyopherins Protein Tyrosine Phosphatase, Non-Receptor Type 1 Exportin 1 Protein Binding Sites Coronavirus 3C Proteases Protein Conformation Receptors, Cytoplasmic and Nuclear ROC Curve Computational Biology Antigens, Neoplasm Interleukin-2 Reproducibility of Results Humans SARS-CoV-2 Molecular Dynamics Simulation Machine Learning Hepacivirus Algorithms Area Under Curve Ligands Models, Statistical Elasticity Antigens, CD Regression Analysis
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The use of knowledge management tools in viroinformatics. Example study of a highly conserved sequence motif in Nsp3 of SARS-CoV-2 as a therapeutic target.

Computers in biology and medicine Aug 13, 2020
Knowledge management tools that assist in systematic review and exploration of scientific knowledge generally are of obvious potential importance in evidence based medicine in general, but also to the design of therapeutics based on the protein subse...
Binding Sites Conserved Sequence Coronavirus Infections Viral Nonstructural Proteins SARS-CoV-2 Pandemics Coronavirus Papain-Like Proteases Drug Development Computational Biology Humans COVID-19 Amino Acid Sequence Artificial Intelligence Betacoronavirus Pneumonia, Viral
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