ArticleJournal of medicinal chemistry2022
Expedited Approach toward the Rational Design of Noncovalent SARS-CoV-2 Main Protease Inhibitors.
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Article in 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 85 papers.
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85citing papers in PubMed
20.1field-weighted citation impact, top 1% of its field
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Who cites it
85 citing papers in PubMed, 163 citations in OpenAlex.
- 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
- Structure-based macrocyclization of α-ketoamides leads to potent inhibitors of coronaviral and enteroviral proteases.Communications chemistry · 2026Article
- Inhibitory effects and structural analysis of drug candidate PF-07817883 against coronaviral main proteases (MJournal of structural biology: X · 2026Article
- A Novel Covalent Inhibitor Fragment for the SARS-CoV-2 Main Protease Identified by Target-Specific Deep Learning.ACS chemical biology · 2026Article
- Ugi-Tetrazole-Derived α‑Aminomethyl Scaffolds Reveal Unexpected Binding Modes in SARS-CoV‑2 3CLpro.ACS medicinal chemistry letters · 2026Article
- Biphenyl as a Privileged Structure in Medicinal Chemistry: Advances in Anti-Infective Drug Discovery.Molecules (Basel, Switzerland) · 2026Review
- Ugi multicomponent reactions of optically active aldehydes and chiral aminoindanols: diastereoselective synthesis of bisamides relevant to SARS-CoV-2 Mpro inhibitors.Organic & biomolecular chemistry · 2026Article
- Leak Proof PDBBind: A Reorganized Data Set of Protein-Ligand Complexes for More Generalizable Binding Affinity Prediction.The journal of physical chemistry. B · 2026Article
- Polaris Challenge: Data-Driven Priors to Improve Docking for Pose Prediction.Journal of chemical information and modeling · 2025Article
- Targeting SARS-CoV-2 main protease for the discovery of a broad-spectrum COVID-19 inhibitor by intensive multi-tiered validation.Acta pharmaceutica Sinica. B · 2025Article
- Ugi and Groebke-Blackburn-Bienaymé Reactions in Medicinal Chemistry: An Outlook on New Bioactive Compounds.ACS omega · 2025Review
- 1,2,4-Thiadiazolidin-3,5-Diones as Inhibitors of Cysteine Proteases.Molecules (Basel, Switzerland) · 2025Article
- A Data-Driven Perspective on Bioisostere Evaluation: Mapping the Benzene Bioisostere Landscape with BioSTAR.Journal of medicinal chemistry · 2025Review
- Review
- Unlocking the potential of phytochemicals in inhibiting SARS-CoV-2 MScientific reports · 2025Article
- A novel, covalent broad-spectrum inhibitor targeting human coronavirus MNature communications · 2025Article
- Structure-Based Optimization of Pyridone α-Ketoamides as Inhibitors of the SARS-CoV-2 Main Protease.Journal of medicinal chemistry · 2025Article
- Virtual Screening Identifies Inhibitors of SARS-CoV-2 Main Protease through Pharmacophore and Similarity Approaches.Current pharmaceutical design · 2025Article
- Taming the storm: potential anti-inflammatory compounds targeting SARS-CoV-2 MPro.Inflammopharmacology · 2024Review
- SARS-CoV-2 MSLAS discovery : advancing life sciences R & D · 2024Article
25 more citing papers are in PubMed but not listed here.
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Authors and funding
17 authors at 4 institutions in 1 country.
Naoya KitamuraDepartment of Pharmacology and Toxicology, College of Pharmacy, The University of Arizona, Tucson, Arizona 85721, United States.
Michael Dominic SaccoDepartment of Molecular Medicine, Morsani College of Medicine, University of South Florida, Tampa, Florida 33612, United States.
Chunlong MaDepartment of Pharmacology and Toxicology, College of Pharmacy, The University of Arizona, Tucson, Arizona 85721, United States.
Yanmei HuDepartment of Pharmacology and Toxicology, College of Pharmacy, The University of Arizona, Tucson, Arizona 85721, United States.
Julia Alma TownsendDepartment of Chemistry and Biochemistry, The University of Arizona, Tucson, Arizona 85721, United States.
Xiangzhi MengDepartment of Microbiology, Immunology and Molecular Genetics, University of Texas Health Science Center at San Antonio, San Antonio, Texas 78229, United States.
Fushun ZhangDepartment of Microbiology, Immunology and Molecular Genetics, University of Texas Health Science Center at San Antonio, San Antonio, Texas 78229, United States.
Xiujun ZhangDepartment of Molecular Medicine, Morsani College of Medicine, University of South Florida, Tampa, Florida 33612, United States.
Mandy BaDepartment of Pharmacology and Toxicology, College of Pharmacy, The University of Arizona, Tucson, Arizona 85721, United States.
Tommy SzetoDepartment of Pharmacology and Toxicology, College of Pharmacy, The University of Arizona, Tucson, Arizona 85721, United States.
Adis KukuljacDepartment of Molecular Medicine, Morsani College of Medicine, University of South Florida, Tampa, Florida 33612, United States.
Michael Thomas MartyDepartment of Chemistry and Biochemistry, The University of Arizona, Tucson, Arizona 85721, United States.
David SchultzDepartment of Biochemistry and Biophysics, University of Pennsylvania, Philadelphia, Pennsylvania 19104, United States.
Sara CherryDepartment of Pathology and Laboratory Medicine, University of Pennsylvania, Philadelphia, Pennsylvania 19104, United States.
Yan XiangDepartment of Microbiology, Immunology and Molecular Genetics, University of Texas Health Science Center at San Antonio, San Antonio, Texas 78229, United States.
Yu ChenDepartment of Molecular Medicine, Morsani College of Medicine, University of South Florida, Tampa, Florida 33612, United States.
Jun WangDepartment of Pharmacology and Toxicology, College of Pharmacy, The University of Arizona, Tucson, Arizona 85721, United States.ORCID 0000-0002-4845-4621
University of Arizona · USUniversity of South Florida · USThe University of Texas Health Science Center at San Antonio · USUniversity of Pennsylvania · US
Funding
CHEMISTRY-BIOLOGY INTERFACE TRAINING PROGRAMT32GM008804 · NIGMS · UNIVERSITY OF ARIZONA · PI MONTFORT, WILLIAM R. · 2003 to 2023
$3.9MUnravelling Membrane Protein-Lipid Interactions using Nanodiscs and Mass SpectrometryR35GM128624 · NIGMS · UNIVERSITY OF TEXAS AT AUSTIN · PI Michael T Marty · 2018 to 2026
$3.6MDevelopment of dual inhibitors targeting the viral main protease and the host cathepsin L as SARS-CoV-2 antiviralsR01AI158775 · NIAID · UNIVERSITY OF ARIZONA · PI Jun Wang · 2021 to 2026
$3.6MNovel Translational Control Mechanisms in Host Range Restriction of PoxvirusR01AI151638 · NIAID · UNIVERSITY OF TEXAS HLTH SCIENCE CENTER · PI YAN XIANG · 2020 to 2026
$3.4MDrug target validation of the enterovirus D68 2A proteaseR01AI157046 · NIAID · UNIVERSITY OF ARIZONA · PI WANG, JUN · 2020 to 2024
$3.4MHigh Throughput Screening of Inhibitors Targeting the Enterovirus A71 and D68 2A ProteasesR01AI147325 · NIAID · UNIVERSITY OF ARIZONA · PI WANG, JUN · 2019 to 2022
$1.7MDrug Discovery Targeting the Influenza A Virus M2-S31N Proton ChannelR33AI119187 · NIAID · UNIVERSITY OF ARIZONA · PI PEREZ, DANIEL R, WANG, JUN · 2017 to 2019
$1.2MNIAID NIH HHS R01 AI147325NIAID NIH HHS R01 AI151638NIAID NIH HHS R01 AI157046NIAID NIH HHS R01 AI158775NIAID NIH HHS R33 AI119187NIGMS NIH HHS R35 GM128624NIGMS NIH HHS T32 GM008804
Abstract
The main protease (M
Indexed as
Drug DesignAnimalsAntiviral AgentsChlorocebus aethiopsCoronavirus 3C ProteasesCOVID-19COVID-19 Drug TreatmentCysteine Proteinase InhibitorsDose-Response Relationship, DrugHumansLactamsLeucineMicrobial Sensitivity TestsModels, MolecularMolecular StructureProline3C-like proteinase, SARS-CoV-2Antiviral AgentsCoronavirus 3C ProteasesCysteine Proteinase InhibitorsGC376LactamsLeucineN-(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-carboxamideProlinePyrrolidinesSulfonic Acids
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