ArticleNature communications2021
A small molecule compound with an indole moiety inhibits the main protease of SARS-CoV-2 and blocks virus replication.
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Article in Nature communications, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 102 papers.
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102citing papers in PubMed
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102 citing papers in PubMed, 191 citations in OpenAlex.
- 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
- 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
- Two faces of drug repurposing data in machine learning-driven structure-based virtual screening supported by interaction fingerprints.Journal of computer-aided molecular design · 2026Article
- Design and development of N-Heterocyclic protease inhibitors for flaviviral infections: a synthetic and SAR-based review.Molecular diversity · 2026Review
- Interaction-constrained 3D molecular generation using a diffusion model enables structure-based pharmacophore modeling for drug design.npj drug discovery · 2026Article
- Exploring covalent inhibitors of SARS-CoV-2 main protease: from peptidomimetics to novel scaffolds.Journal of enzyme inhibition and medicinal chemistry · 2025Review
- SARS-CoV‑2 Papain-Like Protease Inhibitors Based on Naphthalen-1-ylethanamine and Halogenated Benzene Moieties.ACS omega · 2025Article
- 1,2,4-Thiadiazolidin-3,5-Diones as Inhibitors of Cysteine Proteases.Molecules (Basel, Switzerland) · 2025Article
- SARS-CoV‑2 Main Protease Inhibitors Containing 5‑Substituted Benzothiazole-2-carbonyl Moieties at the P1' Site and Their Derivatives.ACS omega · 2025Article
- Identification of potential COVID-19 Mpro inhibitors through covalent drug docking, molecular dynamics simulation, and MMGBSA calculation.Scientific reports · 2025Article
- Structure-Based Optimization of Pyridone α-Ketoamides as Inhibitors of the SARS-CoV-2 Main Protease.Journal of medicinal chemistry · 2025Article
- Exploring antiviral strategies to combat African swine fever.FEMS microbiology reviews · 2025Review
- An orally available P1'-5-fluorinated MPNAS nexus · 2025Article
- The zymogenic form of SARS-CoV-2 main protease: A discrete target for drug discovery.The Journal of biological chemistry · 2025Article
- Bisindole Compounds-Synthesis and Medicinal Properties.Antibiotics (Basel, Switzerland) · 2024Review
- Thioamides in medicinal chemistry and as small molecule therapeutic agents.European journal of medicinal chemistry · 2024Review
- Structural and virologic mechanism of the emergence of resistance to MProceedings of the National Academy of Sciences of the United States of America · 2024Article
- Breaking the Chain: Protease Inhibitors as Game Changers in Respiratory Viruses Management.International journal of molecular sciences · 2024Review
- Protective Effect of Indole-3-Aldehyde in Murine COVID-19-Associated Pulmonary Aspergillosis.Journal of fungi (Basel, Switzerland) · 2024Article
42 more citing papers are in PubMed but not listed here.
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Authors and funding
23 authors at 9 institutions in 2 countries.
Shin-Ichiro HattoriDepartment of Refractory Viral Infections, National Center for Global Health and Medicine Research Institute, Tokyo, Japan.ORCID 0000-0002-5637-3397
Nobuyo Higashi-KuwataDepartment of Refractory Viral Infections, National Center for Global Health and Medicine Research Institute, Tokyo, Japan.ORCID 0000-0002-9404-3532
Hironori HayashiDepartment of Intelligent Network for Infection Control, Tohoku University Hospital, Miyagi, Japan.
Srinivasa Rao AlluDepartment of Chemistry and Department of Medicinal Chemistry and Molecular Pharmacology, Purdue University, West Lafayette, IN, USA.
Jakka RaghavaiahDepartment of Chemistry and Department of Medicinal Chemistry and Molecular Pharmacology, Purdue University, West Lafayette, IN, USA.
Haydar BulutExperimental Retrovirology Section, HIV and AIDS Malignancy Branch, National Cancer Institute, National Institutes of Health, Bethesda, MD, USA.ORCID 0000-0003-0262-6296
Debananda DasExperimental Retrovirology Section, HIV and AIDS Malignancy Branch, National Cancer Institute, National Institutes of Health, Bethesda, MD, USA.ORCID 0000-0001-9943-5888
Brandon J AnsonDepartment of Biochemistry and Department of Biological Sciences, Purdue University, West Lafayette, IN, USA.ORCID 0000-0003-2670-974X
Emma K LendyDepartment of Biochemistry and Department of Biological Sciences, Purdue University, West Lafayette, IN, USA.
Yuki TakamatsuDepartment of Refractory Viral Infections, National Center for Global Health and Medicine Research Institute, Tokyo, Japan.ORCID 0000-0001-7967-1576
Nobutoki TakamuneKumamoto Innovative Development Organization, Kumamoto University, Kumamoto, Japan.
Naoki KishimotoDepartment of Environmental and Molecular Health Sciences, Faculty of Medical and Pharmaceutical Sciences, Kumamoto University, Kumamoto, Japan.ORCID 0000-0002-9401-8118
Kazutaka MurayamaGraduate School of Biomedical Engineering, Tohoku University, Miyagi, Japan.
Kazuya HasegawaProtein Crystal Analysis Division, Japan Synchrotron Radiation Research Institute, Hyogo, Japan.
Mi LiProtein Structure Section, Center for Structural Biology, National Cancer Institute, Frederick, MD, USA.
David A DavisViral Oncology Section, HIV and AIDS Malignancy Branch, National Cancer Institute, National Institutes of Health, Bethesda, MD, USA.
Eiichi N KodamaDepartment of infectious Diseases, International Research Institute of Disaster Science, Tohoku University, Miyagi, Japan.
Robert YarchoanViral Oncology Section, HIV and AIDS Malignancy Branch, National Cancer Institute, National Institutes of Health, Bethesda, MD, USA.ORCID 0000-0002-3057-1395
Alexander WlodawerProtein Structure Section, Center for Structural Biology, National Cancer Institute, Frederick, MD, USA.ORCID 0000-0002-5510-9703
Shogo MisumiDepartment of Environmental and Molecular Health Sciences, Faculty of Medical and Pharmaceutical Sciences, Kumamoto University, Kumamoto, Japan.ORCID 0000-0002-9465-4720
Andrew D MesecarDepartment of Biochemistry and Department of Biological Sciences, Purdue University, West Lafayette, IN, USA.
Arun K GhoshDepartment of Chemistry and Department of Medicinal Chemistry and Molecular Pharmacology, Purdue University, West Lafayette, IN, USA.
Hiroaki MitsuyaDepartment of Refractory Viral Infections, National Center for Global Health and Medicine Research Institute, Tokyo, Japan. hmitsuya@hosp.ncgm.go.jp.ORCID 0000-0001-9274-3853
Purdue University West Lafayette · USNational Institutes of Health · USKumamoto University · JPNational Center for Global Health and Medicine · JPTohoku Institute of Technology · JPFrederick National Laboratory for Cancer Research · USJapan Synchrotron Radiation Research Institute · JPLeidos (United States) · USTohoku University · JP
Funding
Protein StructureZIABC010348 · NCI · DIVISION OF BASIC SCIENCES - NCI · PI WLODAWER, ALEXANDER · 2009 to 2025
$27.5MMechanisms of viral proteases in coronavirus replication and pathogenesisR01AI085089 · NIAID · LOYOLA UNIVERSITY CHICAGO · PI BAKER, SUSAN C., MESECAR, ANDREW D · 2010 to 2019
$6.8MDevelopment of therapeutics for SARS-CoV-2 infectionZIABC012018 · NCI · DIVISION OF BASIC SCIENCES - NCI · PI MITSUYA, HIROAKI · 2020 to 2025
$2.6MDesign & Synthesis of Nonpeptide Protease InhibitorsR01AI150466 · NIAID · PURDUE UNIVERSITY · PI ARUN K GHOSH · 2023 to 2026
$2.4MDesign & Synthesis of Nonpeptide Protease InhibitorsR37AI150466 · NIAID · PURDUE UNIVERSITY · PI GHOSH, ARUN K · 2019 to 2020
$969kStudy of and development of antiviral drugs against SARS-CoV2 proteaseZIABC011945 · NCI · DIVISION OF BASIC SCIENCES - NCI · PI YARCHOAN, ROBERT · 2020 to 2024
$864kChimeric ACE2 peptide ligand for diagnostic assays of SARS-CoV-2ZIABC011966 · NCI · DIVISION OF BASIC SCIENCES - NCI · PI WLODAWER, ALEXANDER · 2020 to 2023
$825kCCR NIH HHS HHSN261200800001CNCI NIH HHS HHSN261200800001ENIAID NIH HHS HHSN272201700060CNIAID NIH HHS R01 AI085089NIAID NIH HHS R01 AI150466NIAID NIH HHS R37 AI150466
Abstract
Except remdesivir, no specific antivirals for SARS-CoV-2 infection are currently available. Here, we characterize two small-molecule-compounds, named GRL-1720 and 5h, containing an indoline and indole moiety, respectively, which target the SARS-CoV-2 main protease (M
Indexed as
COVID-19 Drug TreatmentAdenosine MonophosphateAlanineAnimalsAntiviral AgentsCell LineChlorocebus aethiopsCoronavirus Protease InhibitorsHumansIndolesPyridinesSARS-CoV-2Vero CellsViral Proteases5-chloropyridin-3-yl indoline-4-carboxylateAdenosine MonophosphateAlanineAntiviral AgentsCoronavirus Protease InhibitorsIndolesindolinePyridinesremdesivirViral Proteases
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