Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors
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Summary
The pharmacokinetic characterization of the optimized inhibitor reveals a pronounced lung tropism and suitability for administration by the inhalative route and work that may provide a basis for development of anticoronaviral drugs.
- Type
- article
- Published
- 2020-03-20
- Cited by
- 2,803
- References
- 50
- Access
- Open access
- OpenAlex
- https://openalex.org/W3011701533
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:214601773
Keywords
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), Protease, Coronavirus disease 2019 (COVID-19), 2019-20 coronavirus outbreak, Basis (linear algebra)
References
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- Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease
- Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of Anti-SARS Drugs
- Use of a fluorescence plate reader for measuring kinetic parameters with inner filter effect correction.
- On the use of the merging R factor as a quality indicator for X-ray data
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- PKSolver: An add-in program for pharmacokinetic and pharmacodynamic data analysis in Microsoft Excel
- Dynamically-Driven Enhancement of the Catalytic Machinery of the SARS 3C-Like Protease by the S284-T285-I286/A Mutations on the Extra Domain
- Solid-phase synthesis of irreversible human rhinovirus 3C protease inhibitors. Part 1: Optimization of tripeptides incorporating N-terminal amides.
- Overview of the CCP4 suite and current developments
- Linking crystallographic model and data quality
- JLigand: a graphical tool for the CCP4 template-restraint library
- Facilities for macromolecular crystallography at the Helmholtz-Zentrum Berlin
- pH-dependent Conformational Flexibility of the SARS-CoV Main Proteinase (Mpro) Dimer: Molecular Dynamics Simulations and Multiple X-ray Structure Analyses
- Structure of coronavirus main proteinase reveals combination of a chymotrypsin fold with an extra α-helical domain
- UCSF Chimera—A visualization system for exploratory research and analysis
Cited by
- Pharmacophore modelling of vanillin derivatives, favipiravir, chloroquine, hydroxychloroquine, monolaurin and tetrodotoxin as MPro inhibitors of severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2)
- A comparison of Remdesivir versus gold cluster in COVID-19 animal model: A better therapeutic outcome of gold cluster
- SARS-CoV-2 3CLpro mutations selected in a VSV-based system confer resistance to nirmatrelvir, ensitrelvir, and GC376
- Molecular Dynamics Simulations Indicate the SARS-CoV-2 Mpro Is Not a Viable Target for Small-Molecule Inhibitors Design
- COVID-19: A promising cure for the global panic
- A Mathematical Modelling Approach in the Spread of the Novel 2019 Coronavirus SARS-CoV-2 (COVID-19) Pandemic
- Discovery of Multi-Target-Directed Ligands against SARS-CoV-2 through Targeting the Structurally Conserved Main Protease
- A Flexible Genome-Scale Resource of SARS-CoV-2 Coding Sequence Clones
- Topological analysis of SARS CoV-2 main protease
- Virus-host interactome and proteomic survey of PMBCs from COVID-19 patients reveal potential virulence factors influencing SARS-CoV-2 pathogenesis
- Computational screening for potential drug candidates against the SARS-CoV-2 main protease
- While We Wait for a Vaccine Against SARS-CoV-2, Why Not Think About Available Drugs?
- Scutellaria baicalensis extract and baicalein inhibit replication of SARS-CoV-2 and its 3C-like protease in vitro
- Pharmacological Therapeutics Targeting RNA-Dependent RNA Polymerase, Proteinase and Spike Protein: From Mechanistic Studies to Clinical Trials for COVID-19
- Why Are Lopinavir and Ritonavir Effective against the Newly Emerged Coronavirus 2019? Atomistic Insights into the Inhibitory Mechanisms
- An overview of coronaviruses including the SARS-2 coronavirus – Molecular biology, epidemiology and clinical implications
- What Does Plant-Based Vaccine Technology Offer to the Fight against COVID-19?
- Sars-CoV-2 Envelope and Membrane Proteins: Differences from Closely Related Proteins Linked to Cross-species Transmission?
- Discovery of potential multi-target-directed ligands by targeting host-specific SARS-CoV-2 structurally conserved main protease
- Analysis of Ten Microsecond simulation data of SARS-CoV-2 dimeric main protease
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