ArticleEuropean journal of medicinal chemistry2022
A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
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Article in European journal of medicinal chemistry, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 27 papers.
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27citing papers in PubMed
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Who cites it
27 citing papers in PubMed, 47 citations in OpenAlex.
- Disulfide bond formation between Cys22 and Cys44 in SARS-CoV-2 main protease.Bioorganic & medicinal chemistry letters · 2026Article
- High-Throughput Screening Identifies Covalent Inhibitors with Unique Chemistry and Binding Modes for SARS-CoV‑2 Main Protease.JACS Au · 2026Article
- Recent Advances in the Design of Inhibitors Targeting the Viral Entry and Replication of the SARS-CoV-2 Virus, Driven by In Silico Approaches.Molecules (Basel, Switzerland) · 2026Review
- Article
- Design, synthesis, and X-ray structural studies of potent SARS-CoV-2 Mpro inhibitors containing tetrahydroisoquinoline-3-carboxamides as P2 ligands.RSC medicinal chemistry · 2026Article
- A Novel Covalent Inhibitor Fragment for the SARS-CoV-2 Main Protease Identified by Target-Specific Deep Learning.ACS chemical biology · 2026Article
- 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.Journal of the American Chemical Society · 2026Article
- From vibrations to function: Spectroscopic detection and quantification of π-π stacking in drug-responsive protein complexes.Science advances · 2026Article
- From nicotine to SARS-CoV-2 antivirals with potent in vivo efficacy and a broad anti-coronavirus spectrum.Nature communications · 2026Article
- Regioselective multicomponent synthesis of α-boryl ureas: discovery of a potent main protease inhibitor.Organic & biomolecular chemistry · 2026Article
- Support Vector Machine Identification of Small Molecule Binders to an Understudied Allosteric Site of SARS-CoV-2 Mpro for Next-Generation PROTAC-Based Therapeutics.Archiv der Pharmazie · 2025Article
- Prospects for the structure‒function evolution of SARS-CoV-2 main protease inhibitors.Journal of computer-aided molecular design · 2025Review
- Lessons learnt from broad-spectrum coronavirus antiviral drug discovery.Expert opinion on drug discovery · 2024Review
- 3-chymotrypsin-like protease in SARS-CoV-2.Bioscience reports · 2024Review
- In Silico Comparative Analysis of Ivermectin and Nirmatrelvir Inhibitors Interacting with the SARS-CoV-2 Main Protease.Biomolecules · 2024Article
- SARS-CoV-2 Main Protease Inhibitors That Leverage Unique Interactions with the Solvent Exposed S3 Site of the Enzyme.ACS medicinal chemistry letters · 2024Article
- Azapeptides with unique covalent warheads as SARS-CoV-2 main protease inhibitors.Antiviral research · 2024Article
- Discovery of First-in-Class PROTAC Degraders of SARS-CoV-2 Main Protease.Journal of medicinal chemistry · 2024Article
- Exploration of P1 and P4 modifications of nirmatrelvir: Design, synthesis, biological evaluation, and X-ray structural studies of SARS-CoV-2 Mpro inhibitors.European journal of medicinal chemistry · 2024Article
- On the origins of SARS-CoV-2 main protease inhibitors.RSC medicinal chemistry · 2024Review
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Authors and funding
18 authors at 3 institutions in 1 country.
Yugendar R AlugubelliTexas A&M Drug Discovery Laboratory, Department of Chemistry, Texas A&M University, College Station, TX, 77843, USA.
Zhi Zachary GengTexas A&M Drug Discovery Laboratory, Department of Chemistry, Texas A&M University, College Station, TX, 77843, USA.
Kai S YangTexas A&M Drug Discovery Laboratory, Department of Chemistry, Texas A&M University, College Station, TX, 77843, USA.
Namir ShaabaniSorrento Therapeutics, Inc. San Diego, CA, 92121, USA.
Kaustav KhatuaTexas A&M Drug Discovery Laboratory, Department of Chemistry, Texas A&M University, College Station, TX, 77843, USA.
Xinyu R MaTexas A&M Drug Discovery Laboratory, Department of Chemistry, Texas A&M University, College Station, TX, 77843, USA.
Erol C VatanseverTexas A&M Drug Discovery Laboratory, Department of Chemistry, Texas A&M University, College Station, TX, 77843, USA.
Chia-Chuan ChoTexas A&M Drug Discovery Laboratory, Department of Chemistry, Texas A&M University, College Station, TX, 77843, USA.
Yuying MaTexas A&M Drug Discovery Laboratory, Department of Chemistry, Texas A&M University, College Station, TX, 77843, USA.
Jing XiaoTexas A&M Drug Discovery Laboratory, Department of Chemistry, Texas A&M University, College Station, TX, 77843, USA.
Lauren R BlankenshipTexas A&M Drug Discovery Laboratory, Department of Chemistry, Texas A&M University, College Station, TX, 77843, USA.
Ge YuTexas A&M Drug Discovery Laboratory, Department of Chemistry, Texas A&M University, College Station, TX, 77843, USA.
Banumathi SankaranMolecular Biophysics and Integrated Bioimaging, Berkeley Center for Structural Biology, Laurence Berkeley National Laboratory, Berkeley, CA, 94720, USA.
Pingwei LiDepartment of Biochemistry and Biophysics, Texas A&M University, College Station, TX, 77843, USA.
Robert AllenSorrento Therapeutics, Inc. San Diego, CA, 92121, USA.
Henry JiSorrento Therapeutics, Inc. San Diego, CA, 92121, USA. Electronic address: hji@sorrentotherapeutics.com.
Shiqing XuTexas A&M Drug Discovery Laboratory, Department of Chemistry, Texas A&M University, College Station, TX, 77843, USA. Electronic address: shiqing.xu@tamu.edu.
Wenshe Ray LiuTexas A&M Drug Discovery Laboratory, Department of Chemistry, Texas A&M University, College Station, TX, 77843, USA; Department of Biochemistry and Biophysics, Texas A&M University, College Station, TX, 77843, USA; Institute of Biosciences and Technology and Department of Translational Medical Sciences, College of Medicine, Texas A&M University, Houston, TX, 77030, USA; Department of Molecular and Cellular Medicine, College of Medicine, Texas A&M University, College Station, TX, 77843, USA. Electronic address: wsliu2007@tamu.edu.
Texas A&M University · USSorrento Therapeutics (United States) · USLawrence Berkeley National Laboratory · US
Funding
User Training and OutreachP30GM124169 · NIGMS · UNIVERSITY OF CALIF-LAWRENC BERKELEY LAB · PI PAUL David ADAMS, Gregory L Hura · 2017 to 2026
$28.6MDevelopment of fluorogenic and chemiluminogenic main protease substrates for cellular and in vivo imaging of SARS-CoV-2R21EB032983 · NIBIB · TEXAS A&M UNIVERSITY · PI LIU, WENSHE RAY · 2022 to 2023
$411kThe Development of Reversible Covalent PROTAC Technology as a New Anti-COVID-19 StrategyR21AI164088 · NIAID · TEXAS A&M UNIVERSITY · PI XU, SHIQING · 2021 to 2022
$406kNIAID NIH HHS R21 AI164088NIBIB NIH HHS R21 EB032983NIGMS NIH HHS P30 GM124169
Abstract
Boceprevir is an HCV NSP3 inhibitor that was explored as a repurposed drug for COVID-19. It inhibits the SARS-CoV-2 main protease (M
Indexed as
CarbutamideCOVID-19 Drug TreatmentAntiviral AgentsCarbamatesHumansLactamsLeucineNitrilesProlineProtease InhibitorsSARS-CoV-2Antiviral AgentsCarbamatesCarbutamideLactamsLeucineN-(3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl)-3-(2-((((1,1-dimethylethyl)amino)carbonyl)amino)-3,3-dimethyl-1-oxobutyl)-6,6-dimethyl-3-azabicyclo(3.1.0)hexan-2-carboxamidenirmatrelvirNitrilesProlineProtease InhibitorsCarbamateCovalent inhibitorCOVID-19Main proteaseSARS-CoV-2
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