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Repurposing potential of FDA‐approved and investigational drugs for COVID‐19 targeting SARS‐CoV‐2 spike and main protease and validation by machine learning algorithm
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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The Novel Coronavirus Originating in Wuhan, China
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Pharmacophores from Macromolecular Complexes with LigandScout
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Learning from the Past: Possible Urgent Prevention and Treatment Options for Severe Acute Respiratory Infections Caused by 2019‐nCoV
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The Virtual Laboratory: a toolset to enable distributed molecular modelling for drug design on the World‐Wide Grid
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A Unique Protease Cleavage Site Predicted in the Spike Protein of the Novel Pneumonia Coronavirus (2019-nCoV) Potentially Related to Viral Transmissibility
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Protease inhibitors targeting coronavirus and filovirus entry
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Synergistic antiviral activity of gemcitabine and ribavirin against enteroviruses
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Antiviral activity of the adenosine analogue BCX4430 against West Nile virus and tick-borne flaviviruses
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Novel activities of safe-in-human broad-spectrum antiviral agents
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The FDA-approved drug ivermectin inhibits the replication of SARS-CoV-2 in vitro
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SARS-CoV-2 Cell Entry Depends on ACE2 and TMPRSS2 and Is Blocked by a Clinically Proven Protease Inhibitor
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Structure, Function, and Antigenicity of the SARS-CoV-2 Spike Glycoprotein
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Bayesian Models Leveraging Bioactivity and Cytotoxicity Information for Drug Discovery
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Pharmacophore modeling and applications in drug discovery: challenges and recent advances
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Déjà vu: Stimulating open drug discovery for SARS-CoV-2
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3D QSAR pharmacophore based virtual screening and molecular docking for identification of potential HSP90 inhibitors
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Discovery and development of safe-in-man broad-spectrum antiviral agents
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Energetically favorable anti-electrostatic hydrogen bonded cationic clusters in Ni(II) 3,5-dimethylpyrazole complexes: Anticancer evaluation and theoretical studies
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Radiological findings from 81 patients with COVID-19 pneumonia in Wuhan, China: a descriptive study
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Hydroxychloroquine prophylaxis for COVID-19 contacts in India
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LigandScout: 3-D Pharmacophores Derived from Protein-Bound Ligands and Their Use as Virtual Screening Filters
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MolDock: A New Technique for High-Accuracy Molecular Docking
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Network‐based prediction of protein function
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Pre-fusion structure of a human coronavirus spike protein
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Structural and functional properties of SARS-CoV-2 spike protein: potential antivirus drug development for COVID-19
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Remdesivir and chloroquine effectively inhibit the recently emerged novel coronavirus (2019-nCoV) in vitro
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Inhibition of SARS-CoV-2 (previously 2019-nCoV) infection by a highly potent pan-coronavirus fusion inhibitor targeting its spike protein that harbors a high capacity to mediate membrane fusion
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Structural basis of receptor recognition by SARS-CoV-2
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Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors
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A Trial of Lopinavir–Ritonavir in Adults Hospitalized with Severe Covid-19
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Tectonic conformational changes of a coronavirus spike glycoprotein promote membrane fusion
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The antiviral compound remdesivir potently inhibits RNA-dependent RNA polymerase from Middle East respiratory syndrome coronavirus
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Glycopeptide Antibiotics Potently Inhibit Cathepsin L in the Late Endosome/Lysosome and Block the Entry of Ebola Virus, Middle East Respiratory Syndrome Coronavirus (MERS-CoV), and Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV)
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Virus strain from a mild COVID-19 patient in Hangzhou represents a new trend in SARS-CoV-2 evolution potentially related to Furin cleavage site
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COVID-19: a recommendation to examine the effect of hydroxychloroquine in preventing infection and progression
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History and Recent Advances in Coronavirus Discovery
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Clinical characteristics of novel coronavirus cases in tertiary hospitals in Hubei Province
inferredcites →https://doi.org/10.1126/science.abb2507openalex-snapshot
Cryo-EM structure of the 2019-nCoV spike in the prefusion conformation
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Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors
inferredcites →https://doi.org/10.1128/aac.01043-16openalex-snapshot
Identification of Nafamostat as a Potent Inhibitor of Middle East Respiratory Syndrome Coronavirus S Protein-Mediated Membrane Fusion Using the Split-Protein-Based Cell-Cell Fusion Assay
inferredcites →https://doi.org/10.1128/jvi.00127-20openalex-snapshot
Receptor Recognition by the Novel Coronavirus from Wuhan: an Analysis Based on Decade-Long Structural Studies of SARS Coronavirus
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A Quantitative Measurement of Antiviral Activity of Anti-Human Immunodeficiency Virus Type 1 Drugs against Simian Immunodeficiency Virus Infection: Dose-Response Curve Slope Strongly Influences Class-Specific Inhibitory Potential
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Phylogenetics, Genomic Recombination, and NSP2 Polymorphic Patterns of Porcine Reproductive and Respiratory Syndrome Virus in China and the United States in 2014–2018
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Structures of Two Coronavirus Main Proteases: Implications for Substrate Binding and Antiviral Drug Design
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Predicting disease genes using protein–protein interactions
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Coronavirus Disease 2019 (COVID-19): A Perspective from China
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Indomethacin Has a Potent Antiviral Activity against Sars Coronavirus
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Soluble IL-15/IL-15Rα complexes in human serum
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Nilotinib Exhibits an in Vitro Antiviral Activity Against Human Cytomegalovirus (HCMV): Potential Clinical Applications
inferredcites →https://doi.org/10.2807/1560-7917.es.2020.25.3.2000045openalex-snapshot
Detection of 2019 novel coronavirus (2019-nCoV) by real-time RT-PCR
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Detection of West Nile virus in a common whitethroat (Curruca communis) and Culex mosquitoes in the Netherlands, 2020
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Rapid establishment of laboratory diagnostics for the novel coronavirus SARS-CoV-2 in Bavaria, Germany, February 2020
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Docking studies of Physalis peruviana ethanol extract using molegro virtual docker on insulin tyrosine kinase receptor as antidiabetic agent
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Editorial: Drug Repositioning: Current Advances and Future Perspectives
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Drug Retention Rate and Predictive Factors of Drug Survival for Interleukin-1 Inhibitors in Systemic Juvenile Idiopathic Arthritis
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Emetine, Ipecac, Ipecac Alkaloids and Analogues as Potential Antiviral Agents for Coronaviruses
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Vaccinia virus in Feces and Urine of Wild Rodents from São Paulo State, Brazil
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Silvestrol Inhibits Chikungunya Virus Replication
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Different Outcomes of Experimental Hepatitis E Virus Infection in Diverse Mouse Strains, Wistar Rats, and Rabbits
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Identification of Broad-Spectrum Antiviral Compounds by Targeting Viral Entry
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Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Machine learning enabled identification of potential SARS-CoV-2 3CLpro inhibitors based on fixed molecular fingerprints and Graph-CNN neural representations
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