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Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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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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Drug Development and Medicinal Chemistry Efforts toward SARS‐Coronavirus and Covid‐19 Therapeutics
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A Quick Route to Multiple Highly Potent SARS‐CoV‐2 Main Protease Inhibitors**
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MPI8 is Potent against SARS‐CoV‐2 by Inhibiting Dually and Selectively the SARS‐CoV‐2 Main Protease and the Host Cathepsin L**
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Cysteine proteases as therapeutic targets: does selectivity matter? A systematic review of calpain and cathepsin inhibitors
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ALG-097111, a potent and selective SARS-CoV-2 3-chymotrypsin-like cysteine protease inhibitor exhibits in vivo efficacy in a Syrian Hamster model
inferredcites →https://doi.org/10.1016/j.bmc.2020.115865openalex-snapshot
The advantages of describing covalent inhibitor in vitro potencies by IC50 at a fixed time point. IC50 determination of covalent inhibitors provides meaningful data to medicinal chemistry for SAR optimization
inferredcites →https://doi.org/10.1016/j.cell.2020.02.052openalex-snapshot
SARS-CoV-2 Cell Entry Depends on ACE2 and TMPRSS2 and Is Blocked by a Clinically Proven Protease Inhibitor
inferredcites →https://doi.org/10.1016/j.celrep.2020.107863openalex-snapshot
Critical Role of Type III Interferon in Controlling SARS-CoV-2 Infection in Human Intestinal Epithelial Cells
inferredcites →https://doi.org/10.1021/acs.jmedchem.0c01063openalex-snapshot
Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19
inferredcites →https://doi.org/10.1021/acs.jmedchem.1c00509openalex-snapshot
Expedited Approach toward the Rational Design of Noncovalent SARS-CoV-2 Main Protease Inhibitors
inferredcites →https://doi.org/10.1021/acs.jmedchem.9b00683openalex-snapshot
Can Cysteine Protease Cross-Class Inhibitors Achieve Selectivity?
inferredcites →https://doi.org/10.1021/acsinfecdis.0c00761openalex-snapshot
Boceprevir, Calpain Inhibitors II and XII, and GC-376 Have Broad-Spectrum Antiviral Activity against Coronaviruses
inferredcites →https://doi.org/10.1021/acsinfecdis.0c00815openalex-snapshot
Challenges for Targeting SARS-CoV-2 Proteases as a Therapeutic Strategy for COVID-19
inferredcites →https://doi.org/10.1021/acsptsci.1c00099openalex-snapshot
Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir
inferredcites →https://doi.org/10.1021/bi036022qopenalex-snapshot
3C-like Proteinase from SARS Coronavirus Catalyzes Substrate Hydrolysis by a General Base Mechanism
inferredcites →https://doi.org/10.1021/ja0637649openalex-snapshot
Organic Azide Inhibitors of Cysteine Proteases
inferredcites →https://doi.org/10.1021/jacs.0c10770openalex-snapshot
Proton-Coupled Conformational Activation of SARS Coronavirus Main Proteases and Opportunity for Designing Small-Molecule Broad-Spectrum Targeted Covalent Inhibitors
inferredcites →https://doi.org/10.1021/jm301580nopenalex-snapshot
Discovery, Synthesis, And Structure-Based Optimization of a Series of N-(tert-Butyl)-2-(N-arylamido)-2-(pyridin-3-yl) Acetamides (ML188) as Potent Noncovalent Small Molecule Inhibitors of the Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) 3CL Protease
inferredcites →https://doi.org/10.1021/ol800575zopenalex-snapshot
Solid-Phase Synthesis of Azidomethylene Inhibitors Targeting Cysteine Proteases
inferredcites →https://doi.org/10.1038/s41422-020-0356-zopenalex-snapshot
Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease
inferredcites →https://doi.org/10.1038/s41467-020-18096-2openalex-snapshot
Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication
inferredcites →https://doi.org/10.1038/s41467-020-18709-wopenalex-snapshot
Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease
inferredcites →https://doi.org/10.1038/s41467-021-26239-2openalex-snapshot
Preclinical characterization of an intravenous coronavirus 3CL protease inhibitor for the potential treatment of COVID19
inferredcites →https://doi.org/10.1038/s41564-020-00835-2openalex-snapshot
Therapeutically administered ribonucleoside analogue MK-4482/EIDD-2801 blocks SARS-CoV-2 transmission in ferrets
inferredcites →https://doi.org/10.1038/s41579-021-00573-0openalex-snapshot
SARS-CoV-2 variants, spike mutations and immune escape
inferredcites →https://doi.org/10.1038/s41598-021-89013-wopenalex-snapshot
Efficacy of GC-376 against SARS-CoV-2 virus infection in the K18 hACE2 transgenic mouse model
inferredcites →https://doi.org/10.1039/c8cc01485jopenalex-snapshot
Cysteine-reactive probes and their use in chemical proteomics
inferredcites →https://doi.org/10.1039/c9cs00720bopenalex-snapshot
Advances in covalent kinase inhibitors
inferredcites →https://doi.org/10.1073/pnas.2003138117openalex-snapshot
Cell entry mechanisms of SARS-CoV-2
inferredcites →https://doi.org/10.1073/pnas.2101555118openalex-snapshot
Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection
inferredcites →https://doi.org/10.1126/sciadv.abe0751openalex-snapshot
Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L
inferredcites →https://doi.org/10.1126/science.abb4489openalex-snapshot
Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease
inferredcites →https://doi.org/10.1126/science.abf1611openalex-snapshot
SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model
inferredcites →https://doi.org/10.1126/science.abf7945openalex-snapshot
X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease
inferredcites →https://doi.org/10.1126/science.abg5827openalex-snapshot
Masitinib is a broad coronavirus 3CL inhibitor that blocks replication of SARS-CoV-2
inferredcites →https://doi.org/10.1126/science.abl4784openalex-snapshot
An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19
inferredcites →https://doi.org/10.1126/scitranslmed.abc5332openalex-snapshot
3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV–infected mice
inferredcites →https://doi.org/10.1128/jvi.00239-10openalex-snapshot
TMPRSS2 and TMPRSS4 Facilitate Trypsin-Independent Spread of Influenza Virus in Caco-2 Cells

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.1002/ange.202309657openalex-snapshot
The S1′–S3′ Pocket of the SARS‐CoV‐2 Main Protease Is Critical for Substrate Selectivity and Can Be Targeted with Covalent Inhibitors
inferred← citeshttps://doi.org/10.1002/anie.202309657openalex-snapshot
The S1′–S3′ Pocket of the SARS‐CoV‐2 Main Protease Is Critical for Substrate Selectivity and Can Be Targeted with Covalent Inhibitors
inferred← citeshttps://doi.org/10.1002/ardp.70175openalex-snapshot
Sequential Optimization Approach Toward an Azapeptide‐Based SARS‐CoV‐2 Main Protease Inhibitor
inferred← citeshttps://doi.org/10.1002/cbdv.202300957openalex-snapshot
Discovery of SARS‐CoV‐2 Inhibitors Featuring Novel Histidine α‐Nitrile Motif
inferred← citeshttps://doi.org/10.1002/cbdv.202403242openalex-snapshot
Investigation of Pyrrole Analogues Inhibition on Main Protease by Spectroscopic Analysis, Molecular Docking, and Enzyme Activity
inferred← citeshttps://doi.org/10.1002/chem.202300476openalex-snapshot
Development of the Safe and Broad‐Spectrum Aldehyde and Ketoamide Mpro inhibitors Derived from the Constrained α, γ‐AA Peptide Scaffold
inferred← citeshttps://doi.org/10.1002/chem.202303940openalex-snapshot
Protein‐Templated Ugi Reactions versus In‐Situ Ligation Screening: Two Roads to the Identification of SARS‐CoV‐2 Main Protease Inhibitors
inferred← citeshttps://doi.org/10.1002/cmdc.202200440openalex-snapshot
Recent Drug Development and Medicinal Chemistry Approaches for the Treatment of SARS‐CoV‐2 Infection and COVID‐19
inferred← citeshttps://doi.org/10.1002/cmdc.202200635openalex-snapshot
A Critical Study on Acylating and Covalent Reversible Fragment Inhibitors of SARS‐CoV‐2 Main Protease Targeting the S1 Site with Pyridine
inferred← citeshttps://doi.org/10.1002/jmv.28609openalex-snapshot
Sulforaphane is a reversible covalent inhibitor of 3‐chymotrypsin‐like protease of SARS‐CoV‐2
inferred← citeshttps://doi.org/10.1002/ptr.7651openalex-snapshot
Recruitment of chalcone's potential in drug discovery of a nti‐SARS‐CoV ‐2 agents
inferred← citeshttps://doi.org/10.1007/s00044-022-02903-0openalex-snapshot
Invalidation of dieckol and 1,2,3,4,6-pentagalloylglucose (PGG) as SARS-CoV-2 main protease inhibitors and the discovery of PGG as a papain-like protease inhibitor
inferred← citeshttps://doi.org/10.1007/s10822-024-00554-4openalex-snapshot
Benchmarking ANI potentials as a rescoring function and screening FDA drugs for SARS-CoV-2 Mpro
inferred← citeshttps://doi.org/10.1007/s13659-025-00523-wopenalex-snapshot
Exploring anti-SARS-CoV-2 natural products: dual-viral target inhibition by delphinidin and the anti-coronaviral efficacy of deapio platycodin D
inferred← citeshttps://doi.org/10.1016/b978-0-443-36518-8.00023-0openalex-snapshot
Targeting 3CLpro for broad-spectrum antiviral therapy: Structural insights, inhibitor development, and the future of PROTACs
inferred← citeshttps://doi.org/10.1016/j.antiviral.2024.105841openalex-snapshot
Methyl rosmarinate is an allosteric inhibitor of SARS-CoV-2 3 CL protease as a potential candidate against SARS-cov-2 infection
inferred← citeshttps://doi.org/10.1016/j.antiviral.2024.105874openalex-snapshot
Azapeptides with unique covalent warheads as SARS-CoV-2 main protease inhibitors
inferred← citeshttps://doi.org/10.1016/j.apsb.2024.04.011openalex-snapshot
Discovery and characterization of novel potent non-covalent small molecule inhibitors targeting papain-like protease from SARS-CoV-2
inferred← citeshttps://doi.org/10.1016/j.apsb.2025.06.029openalex-snapshot
Yeast-two-hybrid based high-throughput screening to discover SARS-CoV-2 fusion inhibitors by targeting the HR1/HR2 interaction
inferred← citeshttps://doi.org/10.1016/j.bcp.2026.117791openalex-snapshot
From 2020 to 2025: Comprehensive review Decoding novel structural inhibitors for Mpro of SARS-CoV-2
inferred← citeshttps://doi.org/10.1016/j.bioorg.2024.107380openalex-snapshot
Non-peptidic inhibitors targeting SARS-CoV-2 main protease: A review
inferred← citeshttps://doi.org/10.1016/j.bioorg.2026.109490openalex-snapshot
Design, synthesis, and antifungal evaluation of Prp8 Intein-targeting small molecule inhibitors against Cryptococcus neoformans
inferred← citeshttps://doi.org/10.1016/j.bioorg.2026.110402openalex-snapshot
Design, synthesis, and structural characterization of covalent tetrahydroquinoline-based inhibitors of coronavirus 3CLpro
inferred← citeshttps://doi.org/10.1016/j.bmcl.2022.128732openalex-snapshot
Identification of Aloe-derived natural products as prospective lead scaffolds for SARS-CoV-2 main protease (Mpro) inhibitors
inferred← citeshttps://doi.org/10.1016/j.bmcl.2022.128867openalex-snapshot
Discovery of 2-thiobenzimidazoles as noncovalent inhibitors of SARS-CoV-2 main protease
inferred← citeshttps://doi.org/10.1016/j.bmcl.2023.129407openalex-snapshot
Discovery of benzodiazepine derivatives as a new class of covalent inhibitors of SARS-CoV–2 main protease
inferred← citeshttps://doi.org/10.1016/j.drudis.2023.103579openalex-snapshot
COVID-19 therapeutics: Small-molecule drug development targeting SARS-CoV-2 main protease
inferred← citeshttps://doi.org/10.1016/j.drudis.2023.103799openalex-snapshot
The expanding repertoire of covalent warheads for drug discovery
inferred← citeshttps://doi.org/10.1016/j.ejmech.2022.114570openalex-snapshot
A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals
inferred← citeshttps://doi.org/10.1016/j.ejmech.2022.114596openalex-snapshot
A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals
inferred← citeshttps://doi.org/10.1016/j.ejmech.2022.114803openalex-snapshot
Discovery of novel SARS-CoV-2 3CL protease covalent inhibitors using deep learning-based screen
inferred← citeshttps://doi.org/10.1016/j.ejmech.2023.115129openalex-snapshot
Discovery, synthesis and mechanism study of 2,3,5-substituted [1,2,4]-thiadiazoles as covalent inhibitors targeting 3C-Like protease of SARS-CoV-2
inferred← citeshttps://doi.org/10.1016/j.ejmech.2023.115376openalex-snapshot
Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV)
inferred← citeshttps://doi.org/10.1016/j.ejmech.2023.115491openalex-snapshot
The research progress of SARS-CoV-2 main protease inhibitors from 2020 to 2022
inferred← citeshttps://doi.org/10.1016/j.ejmech.2023.115503openalex-snapshot
Bench-to-bedside: Innovation of small molecule anti-SARS-CoV-2 drugs in China
inferred← citeshttps://doi.org/10.1016/j.ejmech.2023.115667openalex-snapshot
Exploring diverse reactive warheads for the design of SARS-CoV-2 main protease inhibitors
inferred← citeshttps://doi.org/10.1016/j.ejmech.2023.115721openalex-snapshot
Discovery of highly potent covalent SARS-CoV-2 3CLpro inhibitors bearing 2-sulfoxyl-1,3,4-oxadiazole scaffold for combating COVID-19
inferred← citeshttps://doi.org/10.1016/j.ejmech.2023.115772openalex-snapshot
Structure and function of SARS-CoV and SARS-CoV-2 main proteases and their inhibition: A comprehensive review
inferred← citeshttps://doi.org/10.1016/j.ejmech.2023.115979openalex-snapshot
Development of de-novo coronavirus 3-chymotrypsin-like protease (3CLpro) inhibitors since COVID-19 outbreak: A strategy to tackle challenges of persistent virus infection
inferred← citeshttps://doi.org/10.1016/j.ejmech.2024.116704openalex-snapshot
Covalent small-molecule inhibitors of SARS-CoV-2 Mpro: Insights into their design, classification, biological activity, and binding interactions
inferred← citeshttps://doi.org/10.1016/j.ejmech.2024.116707openalex-snapshot
N-acylbenzimidazoles as selective Acylators of the catalytic cystein of the coronavirus 3CL protease
inferred← citeshttps://doi.org/10.1016/j.ejmech.2024.116788openalex-snapshot
How many organic small molecules might be used to treat COVID-19? From natural products to synthetic agents
inferred← citeshttps://doi.org/10.1016/j.ejmech.2024.116963openalex-snapshot
Naphthalen-1-ylethanamine–containing small molecule inhibitors of the papain-like protease of SARS-CoV-2
inferred← citeshttps://doi.org/10.1016/j.ejmech.2024.117202openalex-snapshot
Innovative design and potential applications of covalent strategy in drug discovery
inferred← citeshttps://doi.org/10.1016/j.ejmech.2025.117603openalex-snapshot
Silaproline-bearing nirmatrelvir derivatives are potent inhibitors of the SARS-CoV-2 main protease highlighting the value of silicon-derivatives in structure-activity-relationship studies
inferred← citeshttps://doi.org/10.1016/j.ejmech.2026.119264openalex-snapshot
Cysteine-targeting covalent inhibition: Recent trends and emerging strategies
inferred← citeshttps://doi.org/10.1016/j.ijbiomac.2023.128623openalex-snapshot
Danshensu inhibits SARS-CoV-2 by targeting its main protease as a specific covalent inhibitor and discovery of bifunctional compounds eliciting antiviral and anti-inflammatory activity
inferred← citeshttps://doi.org/10.1016/j.ijbiomac.2024.133706openalex-snapshot
Crystal structures of coronaviral main proteases in complex with the non-covalent inhibitor X77
inferred← citeshttps://doi.org/10.1016/j.isci.2022.105365openalex-snapshot
Potent and biostable inhibitors of the main protease of SARS-CoV-2
inferred← citeshttps://doi.org/10.1016/j.jmgm.2025.109151openalex-snapshot
Identification of novel non-covalent Mpro inhibitors against SARS-CoV-2 by the computational and experimental approaches
inferred← citeshttps://doi.org/10.1016/j.molstruc.2026.145714openalex-snapshot
N-(Benzofuran-3-ylmethyl)isatin derivatives as potential SARS-CoV-2 main protease inhibitors: Synthesis, biological evaluation, kinetic analysis, and molecular modeling insights
inferred← citeshttps://doi.org/10.1016/j.rineng.2026.111662openalex-snapshot
Investigating the effect of variable electric-field amplitude and frequency on the interaction of water/silver nanofluid with the SARS-CoV-2 main protease: a molecular dynamics study
inferred← citeshttps://doi.org/10.1016/j.virol.2025.110659openalex-snapshot
A rapid and robust luciferase-based reporter system to assess SARS-CoV-2 protease activity
inferred← citeshttps://doi.org/10.1016/j.xcrp.2026.103349openalex-snapshot
Pyridinyl ring defines a noncanonical P1-S1 axis that revamps inhibitor design against coronaviral main proteases
inferred← citeshttps://doi.org/10.1016/j.xpro.2023.102323openalex-snapshot
FlipGFP protease assay for evaluating in vitro inhibitory activity against SARS-CoV-2 Mpro and PLpro
inferred← citeshttps://doi.org/10.1021/acs.accounts.2c00735openalex-snapshot
SARS-CoV-2 Main Protease Drug Design, Assay Development, and Drug Resistance Studies
inferred← citeshttps://doi.org/10.1021/acs.accounts.6c00361openalex-snapshot
SARS-CoV-2 Papain-Like Protease: Drug Design, Assay Development, and Drug Resistance
inferred← citeshttps://doi.org/10.1021/acs.biochem.5c00794openalex-snapshot
Early Kinetic Characterization of SARS-CoV-2 Main Protease Inhibitors: A Review and Guidance for Biochemical Assessments
inferred← citeshttps://doi.org/10.1021/acs.jcim.3c00105openalex-snapshot
Elucidating Atomistic Insight into the Dynamical Responses of the SARS-CoV-2 Main Protease for the Binding of Remdesivir Analogues: Leveraging Molecular Mechanics To Decode the Inhibition Mechanism
inferred← citeshttps://doi.org/10.1021/acs.jcim.5c01238openalex-snapshot
Mechanistic Investigation of Cysteine-Targeted Covalent Inhibition of DJ-1 via MD, QM/MM, and SAPT Computations
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.1c02214openalex-snapshot
Penicillin Derivatives Inhibit the SARS-CoV-2 Main Protease by Reaction with Its Nucleophilic Cysteine
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.2c00303openalex-snapshot
Progress and Challenges in Targeting the SARS-CoV-2 Papain-like Protease
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.2c00404openalex-snapshot
Evolutionary and Structural Insights about Potential SARS-CoV-2 Evasion of Nirmatrelvir
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.2c00954openalex-snapshot
Structure-Based Design of a Dual-Targeted Covalent Inhibitor Against Papain-like and Main Proteases of SARS-CoV-2
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.2c01005openalex-snapshot
Targeting SARS-CoV-2 Main Protease for Treatment of COVID-19: Covalent Inhibitors Structure–Activity Relationship Insights and Evolution Perspectives
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.2c01081openalex-snapshot
Discovery of Chlorofluoroacetamide-Based Covalent Inhibitors for Severe Acute Respiratory Syndrome Coronavirus 2 3CL Protease
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.2c01146openalex-snapshot
Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.2c01627openalex-snapshot
Alkyne Derivatives of SARS-CoV-2 Main Protease Inhibitors Including Nirmatrelvir Inhibit by Reacting Covalently with the Nucleophilic Cysteine
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.2c01716openalex-snapshot
Discovery and Crystallographic Studies of Nonpeptidic Piperazine Derivatives as Covalent SARS-CoV-2 Main Protease Inhibitors
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.3c00221openalex-snapshot
A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.3c00504openalex-snapshot
Discovery of a New-Generation S-Adenosylmethionine-Noncompetitive Covalent Inhibitor Targeting the Lysine Methyltransferase Enhancer of Zeste Homologue 2
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.3c00737openalex-snapshot
Expanding the Chemistry of Dihaloacetamides as Tunable Electrophiles for Reversible Covalent Targeting of Cysteines
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.3c00777openalex-snapshot
Structure–Activity Relationship Studies of SARS-CoV-2 Main Protease Inhibitors Containing 4-Fluorobenzothiazole-2-carbonyl Moieties
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.3c00818openalex-snapshot
Discovery and Mechanism Study of SARS-CoV-2 3C-like Protease Inhibitors with a New Reactive Group
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.3c01825openalex-snapshot
Emerging and Re-emerging Warheads for Targeted Covalent Inhibitors: An Update
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.3c02063openalex-snapshot
Discovery of the First-in-Class RORγ Covalent Inhibitors for Treatment of Castration-Resistant Prostate Cancer
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.4c01872openalex-snapshot
Structure-Based Design of Covalent SARS-CoV-2 Papain-like Protease Inhibitors
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.5c01520openalex-snapshot
Azapeptide-Based SARS-CoV-2 Main Protease Inhibitors: Design, Synthesis, Enzyme Inhibition, Structural Determination, and Antiviral Activity
inferred← citeshttps://doi.org/10.1021/acs.jnatprod.4c00657openalex-snapshot
Discovery of Chalcone Derivatives as Bifunctional Molecules with Anti-SARS-CoV-2 and Anti-inflammatory Activities
inferred← citeshttps://doi.org/10.1021/acsbiomedchemau.6c00072openalex-snapshot
Structure-Based Design of New Nonpeptidic Covalent Mpro Inhibitors against SARS-CoV-2 and Omicron Variants
inferred← citeshttps://doi.org/10.1021/acschembio.2c00695openalex-snapshot
A Novel Y-Shaped, S–O–N–O–S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease
inferred← citeshttps://doi.org/10.1021/acschembio.6c00120openalex-snapshot
A Novel Covalent Inhibitor Fragment for the SARS-CoV-2 Main Protease Identified by Target-Specific Deep Learning
inferred← citeshttps://doi.org/10.1021/acsinfecdis.3c00565openalex-snapshot
Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease
inferred← citeshttps://doi.org/10.1021/acsmedchemlett.5c00773openalex-snapshot
Ugi-Tetrazole-Derived α-Aminomethyl Scaffolds Reveal Unexpected Binding Modes in SARS-CoV-2 3CLpro
inferred← citeshttps://doi.org/10.1021/acsmedchemlett.6c00236openalex-snapshot
Nitrile-Based Inhibitors Targeting both SARS-CoV-2 Main Protease and Human Cathepsin L
inferred← citeshttps://doi.org/10.1021/acsomega.4c03023openalex-snapshot
Progress in Research on Inhibitors Targeting SARS-CoV-2 Main Protease (M pro )
inferred← citeshttps://doi.org/10.1021/acsomega.5c05168openalex-snapshot
SARS-CoV-2 Main Protease Inhibitors Containing 5-Substituted Benzothiazole-2-carbonyl Moieties at the P1′ Site and Their Derivatives
inferred← citeshttps://doi.org/10.1021/acsomega.5c05856openalex-snapshot
SARS-CoV-2 Papain-Like Protease Inhibitors Based on Naphthalen-1-ylethanamine and Halogenated Benzene Moieties
inferred← citeshttps://doi.org/10.1021/acsptsci.4c00369openalex-snapshot
Novel Alkynylamide-Based Nonpeptidic Allosteric Inhibitors for SARS-CoV-2 3-Chymotrypsin-like Protease
inferred← citeshttps://doi.org/10.1021/jacs.2c04626openalex-snapshot
Dual Inhibitors of Main Protease (M Pro ) and Cathepsin L as Potent Antivirals against SARS-CoV2
inferred← citeshttps://doi.org/10.1021/jacs.2c08853openalex-snapshot
Sulfamate Acetamides as Self-Immolative Electrophiles for Covalent Ligand-Directed Release Chemistry
inferred← citeshttps://doi.org/10.1021/jacs.4c07920openalex-snapshot
SuFEx Chemistry Enables Covalent Assembly of a 280-kDa 18-Subunit Pore-Forming Complex
inferred← citeshttps://doi.org/10.1021/jacs.6c01119openalex-snapshot
Nicotine-Inspired, De Novo-Designed SARS-CoV-2 Main Protease Inhibitors Reveal Unique Chemistry for Covalently Conjugating Both Cysteine and Histidine Residues in the Catalytic Dyad
inferred← citeshttps://doi.org/10.1021/jacs.6c03429openalex-snapshot
Molecular Glues Recruiting RNF213 As an E3 Ligase for Targeted Protein Degradation: A Minimal Dibromoacetamide Warhead As a Recruitment Ligand
inferred← citeshttps://doi.org/10.1021/jacsau.6c00371openalex-snapshot
High-Throughput Screening Identifies Covalent Inhibitors with Unique Chemistry and Binding Modes for SARS-CoV-2 Main Protease
inferred← citeshttps://doi.org/10.1021/mc-2024-vol59.ch13openalex-snapshot
PEPTIDIC OR NON-PEPTIDIC: EVALUATION OF SMALL-MOLECULE CHEMICAL MATTER IN TARGETING PROTEASES FOR ANTIVIRAL TREATMENT
inferred← citeshttps://doi.org/10.1038/s41392-022-01249-8openalex-snapshot
Small molecules in the treatment of COVID-19
inferred← citeshttps://doi.org/10.1038/s41467-024-55421-5openalex-snapshot
Development of small molecule non-covalent coronavirus 3CL protease inhibitors from DNA-encoded chemical library screening
inferred← citeshttps://doi.org/10.1038/s41467-025-56902-xopenalex-snapshot
Design of quinoline SARS-CoV-2 papain-like protease inhibitors as oral antiviral drug candidates
inferred← citeshttps://doi.org/10.1038/s41467-025-59870-4openalex-snapshot
A novel, covalent broad-spectrum inhibitor targeting human coronavirus Mpro
inferred← citeshttps://doi.org/10.1038/s41467-025-59922-9openalex-snapshot
Identification of naturally occurring drug-resistant mutations of SARS-CoV-2 papain-like protease
inferred← citeshttps://doi.org/10.1038/s41467-026-71436-6openalex-snapshot
Next-generation inhibitors of SARS-CoV-2 Mpro overcome the deficiencies of Paxlovid
inferred← citeshttps://doi.org/10.1038/s41564-022-01119-7openalex-snapshot
An orally available Mpro inhibitor is effective against wild-type SARS-CoV-2 and variants including Omicron
inferred← citeshttps://doi.org/10.1038/s41564-024-01618-9openalex-snapshot
Preclinical evaluation of the SARS-CoV-2 Mpro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir
inferred← citeshttps://doi.org/10.1038/s41598-022-18676-wopenalex-snapshot
Evaluation of the anti-SARS-CoV-2 properties of essential oils and aromatic extracts
inferred← citeshttps://doi.org/10.1038/s41598-025-05375-5openalex-snapshot
Identification of potential COVID-19 Mpro inhibitors through covalent drug docking, molecular dynamics simulation, and MMGBSA calculation
inferred← citeshttps://doi.org/10.1038/s42004-022-00758-5openalex-snapshot
A sustainable synthesis of the SARS-CoV-2 Mpro inhibitor nirmatrelvir, the active ingredient in Paxlovid
inferred← citeshttps://doi.org/10.1038/s42004-024-01104-7openalex-snapshot
Peptidyl nitroalkene inhibitors of main protease rationalized by computational and crystallographic investigations as antivirals against SARS-CoV-2
inferred← citeshttps://doi.org/10.1039/bk9781839167669-00104openalex-snapshot
(Photo)affinity Label and Covalent Inhibitor Design
inferred← citeshttps://doi.org/10.1039/d1sc06596copenalex-snapshot
Selective covalent targeting of SARS-CoV-2 main protease by enantiopure chlorofluoroacetamide
inferred← citeshttps://doi.org/10.1039/d2md00216gopenalex-snapshot
Advanced approaches of developing targeted covalent drugs
inferred← citeshttps://doi.org/10.1039/d2md00344aopenalex-snapshot
Advances in research on 3C-like protease (3CL pro ) inhibitors against SARS-CoV-2 since 2020
inferred← citeshttps://doi.org/10.1039/d2sc04147bopenalex-snapshot
Azapeptide activity-based probes for the SARS-CoV-2 main protease enable visualization of inhibition in infected cells
inferred← citeshttps://doi.org/10.1039/d2sc06209gopenalex-snapshot
Two birds one stone: β-fluoropyrrolyl-cysteine S N Ar chemistry enabling functional porphyrin bioconjugation
inferred← citeshttps://doi.org/10.1039/d3md00493gopenalex-snapshot
On the origins of SARS-CoV-2 main protease inhibitors
inferred← citeshttps://doi.org/10.1039/d3qo00611eopenalex-snapshot
Direct benzylic polychlorination of (poly)azines with N -chlorosuccinimide
inferred← citeshttps://doi.org/10.1039/d4an00372aopenalex-snapshot
A SARS-CoV-2 M pro fluorescent sensor for exploring pharmacodynamic substances from traditional Chinese medicine
inferred← citeshttps://doi.org/10.1039/d4ra03965copenalex-snapshot
Artificial intelligence-aiding lab-on-a-chip workforce designed oral [3.1.0] bi and [4.2.0] tricyclic catalytic interceptors inhibiting multiple SARS-CoV-2 protomers assisted by double-shell deep learning
inferred← citeshttps://doi.org/10.1039/d5md00789eopenalex-snapshot
C6-Alkoxy substituted penicillins are potent non-covalently binding inhibitors of the SARS-CoV-2 main protease
inferred← citeshttps://doi.org/10.1039/d6ra06004hopenalex-snapshot
Design and synthesis of 1,3,4-oxadiazole-tethered N -substituted isatin hybrids as SARS-CoV-2 main protease inhibitors: biological evaluation, kinetic investigation, and in silico studies
inferred← citeshttps://doi.org/10.1042/bsr20231395openalex-snapshot
3-chymotrypsin-like protease in SARS-CoV-2
inferred← citeshttps://doi.org/10.1055/a-2519-9876openalex-snapshot
Noncovalent Inhibitors of SARS-CoV-2 Main Protease: A Rescaffolding Attempt
inferred← citeshttps://doi.org/10.1063/5.0123698openalex-snapshot
Polarizable MD and QM/MM investigation of acrylamide-based leads to target the main protease of SARS-CoV-2
inferred← citeshttps://doi.org/10.1080/0889311x.2023.2222275openalex-snapshot
Structural biology of SARS-CoV-1/SARS-CoV-2 main protease
inferred← citeshttps://doi.org/10.1080/14756366.2025.2460045openalex-snapshot
Exploring covalent inhibitors of SARS-CoV-2 main protease: from peptidomimetics to novel scaffolds
inferred← citeshttps://doi.org/10.1080/17568919.2026.2642579openalex-snapshot
Overview of recent strategic advances in antiviral covalent inhibitors
inferred← citeshttps://doi.org/10.1101/2022.04.29.490044openalex-snapshot
A Novel Y-Shaped, S-O-N-O-S-Bridged Crosslink between Three Residues C22, C44, and K61 Is a Redox Switch of the SARS-CoV-2 Main Protease
inferred← citeshttps://doi.org/10.1101/2023.03.09.531862openalex-snapshot
Inhibition mechanism and antiviral activity of an α-ketoamide based SARS-CoV-2 main protease inhibitor
inferred← citeshttps://doi.org/10.1101/2023.04.11.536467openalex-snapshot
An Azapeptide Platform in Conjunction with Covalent Warheads to Uncover High-Potency Inhibitors for SARS-CoV-2 Main Protease
inferred← citeshttps://doi.org/10.1111/cbdd.14425openalex-snapshot
Progress of SARS‐CoV‐2 Main protease peptide‐like inhibitors
inferred← citeshttps://doi.org/10.1128/aac.00562-24openalex-snapshot
Design of novel and highly selective SARS-CoV-2 main protease inhibitors
inferred← citeshttps://doi.org/10.1128/mbio.02878-23openalex-snapshot
Potent 3CLpro inhibitors effective against SARS-CoV-2 and MERS-CoV in animal models by therapeutic treatment
inferred← citeshttps://doi.org/10.1177/15353702231209413openalex-snapshot
Developing a SARS-CoV-2 main protease binding prediction random forest model for drug repurposing for COVID-19 treatment
inferred← citeshttps://doi.org/10.1186/s13578-022-00806-6openalex-snapshot
Ginkgolic acid and anacardic acid are reversible inhibitors of SARS-CoV-2 3-chymotrypsin-like protease
inferred← citeshttps://doi.org/10.1186/s44149-023-00075-xopenalex-snapshot
Roles of host proteases in the entry of SARS-CoV-2
inferred← citeshttps://doi.org/10.1248/cpb.c23-00562openalex-snapshot
Exploratory Studies of Effective Inhibitors against the SARS-CoV-2 Main Protease by Halogen Incorporation and Amide Bond Replacement
inferred← citeshttps://doi.org/10.14233/ajchem.2025.34335openalex-snapshot
Machine Learning Models for the Identification of SARS-CoV-2 Main Protease (Mpro) Inhibitors: Development and Validation of Three-dimensional (3D) Quantitative Structure-Activity Relationship (QSAR) and Pharmacophore Models
inferred← citeshttps://doi.org/10.18097/pbmc20226806444openalex-snapshot
The prediction of SARS-CoV-2 main protease inhibition with filtering by position of ligand
inferred← citeshttps://doi.org/10.26434/chemrxiv-2022-hmdd4openalex-snapshot
An Environmentally Responsible Synthesis of the SARS-CoV-2 Mpro Inhibitor Nirmatrelvir (PF‑07321332), the Active Ingredient in Paxlovid
inferred← citeshttps://doi.org/10.26434/chemrxiv-2023-v6j35openalex-snapshot
Native mass spectrometry reveals binding interactions of SARS-CoV-2 PLpro with inhibitors and ISG15
inferred← citeshttps://doi.org/10.3389/fmicb.2022.1031204openalex-snapshot
A reporter cell line for the automated quantification of SARS-CoV-2 infection in living cells
inferred← citeshttps://doi.org/10.3390/biom13091339openalex-snapshot
Recent Advances in SARS-CoV-2 Main Protease Inhibitors: From Nirmatrelvir to Future Perspectives
inferred← citeshttps://doi.org/10.3390/biom14070797openalex-snapshot
Inhibitors of SARS-CoV-2 Main Protease (Mpro) as Anti-Coronavirus Agents
inferred← citeshttps://doi.org/10.3390/covid3040034openalex-snapshot
Comparative Analysis and Classification of SARS-CoV-2 Spike Protein Structures in PDB
inferred← citeshttps://doi.org/10.3390/futurepharmacol3010006openalex-snapshot
SARS-CoV-2 Mpro Inhibitors: Achieved Diversity, Developing Resistance and Future Strategies
inferred← citeshttps://doi.org/10.3390/ijms26020670openalex-snapshot
Optimization of SARS-CoV-2 Mpro Inhibitors by a Structure-Based Multilevel Virtual Screening Method
inferred← citeshttps://doi.org/10.3390/ijms26052243openalex-snapshot
Identifying Exifone as a Dual-Target Agent Targeting Both SARS-CoV-2 3CL Protease and the ACE2/S-RBD Interaction Among Clinical Polyphenolic Compounds
inferred← citeshttps://doi.org/10.3390/life13020378openalex-snapshot
Investigation on the Essential Oils of the Achillea Species: From Chemical Analysis to the In Silico Uptake against SARS-CoV-2 Main Protease
inferred← citeshttps://doi.org/10.3390/molecules28145320openalex-snapshot
In Silico Discovery of Small-Molecule Inhibitors Targeting SARS-CoV-2 Main Protease
inferred← citeshttps://doi.org/10.3390/pathogens13100825openalex-snapshot
Advances in the Search for SARS-CoV-2 Mpro and PLpro Inhibitors
inferred← citeshttps://doi.org/10.4155/fmc-2023-0034openalex-snapshot
Structure-Based Discovery of Thiosemicarbazones As SARS-CoV-2 Main Protease Inhibitors
inferred← citeshttps://doi.org/10.4155/fmc-2024-0015openalex-snapshot
Design, synthesis and biological evaluation of novel 3C-like protease inhibitors as lead compounds against SARS-CoV-2
inferred← citeshttps://doi.org/10.5059/yukigoseikyokaishi.82.50openalex-snapshot
Chemistry of Covalent Drugs: Chemical Reactions with Endogenous Proteins in Live Cells
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