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Data for Coronaviruses: COVID-19, MERS & SARS
Special Covid-19 pages are also available at BioGRID and Guide to Pharmacology.
| PMID | Data | Article Title | Citation | Organization | Files Download |
|---|---|---|---|---|---|
| 34347470 | 98 | Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL |
J Med Chem 64: (2021) | Cleveland Clinic | 2D 3D |
| 34271072 | 34 | A head-to-head comparison of the inhibitory activities of 15 peptidomimetic SARS-CoV-2 3CLpro inhibitors. |
Bioorg Med Chem Lett 48: 128263 (2021) | A*STAR | 2D 3D |
| 34242027 | 24 | Peptidomimetic ?-Acyloxymethylketone Warheads with Six-Membered Lactam P1 Glutamine Mimic: SARS-CoV-2 3CL Protease Inhibition, Coronavirus Antiviral Activity, and |
J Med Chem (2021) | University of Alberta | 2D 3D |
| 34213885 | 38 | Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease. |
J Med Chem 64: 10047-10058 (2021) | Wichita State University | 2D 3D |
| 33602867 | 54 | SARS-CoV-2 Mpro inhibitors with antiviral activity in a transgenic mouse model |
Science (2021) | Sichuan University | 2D 3D |
| 33283984 | 11 | A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors |
ChemMedChem (2020) | Texas A&M University | 2D 3D |
| 32935104 | 12 | Discovery of a Novel Inhibitor of Coronavirus 3CL Protease as a Clinical Candidate for the Potential Treatment of COVID-19. |
bioRxiv (2020) | Pfizer Inc. | 2D 3D |
| 32852058 | 301 | The recent outbreaks of human coronaviruses: A medicinal chemistry perspective. |
Med Res Rev (2020) | University of Bonn | 2D 3D |
| 32803196 | 48 | Identification of SARS-CoV-2 3CL Protease Inhibitors by a Quantitative High-throughput Screening. |
bioRxiv (2020) | National Institutes of Health | 2D 3D |
| 32747425 | 43 | 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice. |
Sci Transl Med 12: (2020) | Wichita State University | 2D 3D |
| 32428392 | 7 | Characterization and Noncovalent Inhibition of the Deubiquitinase and deISGylase Activity of SARS-CoV-2 Papain-Like Protease. |
ACS Infect Dis 6: 2099-2109 (2020) | University of Georgia | 2D 3D |
| 32366720 | 53 | Identification of Antiviral Drug Candidates against SARS-CoV-2 from FDA-Approved Drugs. |
Antimicrob Agents Chemother 64: (2020) | Institut Pasteur Korea | 2D 3D |
| 32321856 | 4 | Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease. |
Science 368: 1331-1335 (2020) | Shanghai Institute of Materia Medica | 2D 3D |
| 32272481 | 9 | Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors |
Nature 582: 289-293 (2020) | ShanghaiTech University | 2D 3D |
| 32253226 | 4 | An orally bioavailable broad-spectrum antiviral inhibits SARS-CoV-2 in human airway epithelial cell cultures and multiple coronaviruses in mice. |
Sci Transl Med 12: 1-15 (2020) | University of North Carolina at Chapel Hill | 2D 3D |
| 32198291 | 3 | Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved ?-ketoamide inhibitors. |
Science 368: 409-412 (2020) | University of Lubeck | 2D 3D |
| 30940566 | 17 | Identification and design of novel small molecule inhibitors against MERS-CoV papain-like protease via high-throughput screening and molecular modeling. |
Bioorg Med Chem 27: 1981-1989 (2019) | University of Illinois at Chicago | 2D 3D |
| 29544147 | 36 | Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element. |
Eur J Med Chem 150: 334-346 (2018) | Wichita State University | 2D 3D |
| 27240464 | 24 | Identification, synthesis and evaluation of SARS-CoV and MERS-CoV 3C-like protease inhibitors. |
Bioorg Med Chem 24: 3035-3042 (2016) | Academia Sinica | 2D 3D |
| 26878082 | 196 | An Overview of Severe Acute Respiratory Syndrome-Coronavirus (SARS-CoV) 3CL Protease Inhibitors: Peptidomimetics and Small Molecule Chemotherapy. |
J Med Chem 59: 6595-628 (2016) | University of Bonn | 2D 3D |
| 25746232 | 16 | Inhibitor recognition specificity of MERS-CoV papain-like protease may differ from that of SARS-CoV. |
ACS Chem Biol 10: 1456-65 (2015) | University of Illinois at Chicago | 2D 3D |
| 24332657 | 35 | Identification of novel drug scaffolds for inhibition of SARS-CoV 3-Chymotrypsin-like protease using virtual and high-throughput screenings. |
Bioorg Med Chem 22: 167-77 (2014) | University of Illinois at Chicago | 2D 3D |
| 24316352 | 27 | Synthesis, modification and docking studies of 5-sulfonyl isatin derivatives as SARS-CoV 3C-like protease inhibitors. |
Bioorg Med Chem 22: 292-302 (2014) | Tianjin University of Science and Technology | 2D 3D |
| 24125888 | 2 | Design, synthesis, and bioevaluation of viral 3C and 3C-like protease inhibitors. |
Bioorg Med Chem Lett 23: 6317-20 (2013) | Kansas State University | 2D 3D |
| 23323951 | 10 | Phenolic phytochemical displaying SARS-CoV papain-like protease inhibition from the seeds of Psoralea corylifolia. |
J Enzyme Inhib Med Chem 29: 59-63 (2014) | Gyeongsang National University | 2D 3D |
| 23202846 | 4 | Design, synthesis and crystallographic analysis of nitrile-based broad-spectrum peptidomimetic inhibitors for coronavirus 3C-like proteases. |
Eur J Med Chem 59: 1-6 (2013) | The Chinese University of Hong Kong | 2D 3D |
| 22884354 | 36 | Tanshinones as selective and slow-binding inhibitors for SARS-CoV cysteine proteases. |
Bioorg Med Chem 20: 5928-35 (2012) | Korea Research Institute of Bioscience and Biotechnology | 2D 3D |
| 21470860 | 9 | Virtual screening identification of novel severe acute respiratory syndrome 3C-like protease inhibitors and in vitro confirmation. |
Bioorg Med Chem Lett 21: 3088-91 (2011) | Chonnam National University | 2D 3D |
| 20947359 | 18 | Synthesis and evaluation of pyrazolone compounds as SARS-coronavirus 3C-like protease inhibitors. |
Bioorg Med Chem 18: 7849-54 (2010) | Academia Sinica | 2D 3D |
| 20167482 | 10 | SARS-CoV 3CLpro inhibitory effects of quinone-methide triterpenes from Tripterygium regelii. |
Bioorg Med Chem Lett 20: 1873-6 (2010) | Korea Research Institute of Bioscience and Biotechnology | 2D 3D |
| 19645480 | 24 | Structure-Based Design, Synthesis, and Biological Evaluation of a Series of Novel and Reversible Inhibitors for the Severe Acute Respiratory Syndrome-Coronavirus Papain-Like Protease. |
J Med Chem 52: 5228-40 (2009) | Purdue University | 2D 3D |
| 19625187 | 22 | Investigation of the pharmacophore space of Severe Acute Respiratory Syndrome coronavirus (SARS-CoV) NTPase/helicase by dihydroxychromone derivatives. |
Bioorg Med Chem Lett 19: 4538-41 (2009) | Konkuk University | 2D 3D |
| 19540764 | 1 | Quantitative high-throughput screening identifies inhibitors of anthrax-induced cell death. |
Bioorg Med Chem 17: 5139-45 (2009) | National Human Genome Research Institute | 2D 3D |
| 19362479 | 15 | New developments for the design, synthesis and biological evaluation of potent SARS-CoV 3CL(pro) inhibitors. |
Bioorg Med Chem Lett 19: 2722-7 (2009) | Kyoto Pharmaceutical University | 2D 3D |
| 19233643 | 16 | Aryl diketoacids (ADK) selectively inhibit duplex DNA-unwinding activity of SARS coronavirus NTPase/helicase. |
Bioorg Med Chem Lett 19: 1636-8 (2009) | Konkuk University | 2D 3D |
| 19144641 | 8 | Structural basis of inhibition specificities of 3C and 3C-like proteases by zinc-coordinating and peptidomimetic compounds. |
J Biol Chem 284: 7646-55 (2009) | National Yang-Ming University | 2D 3D |
| 18343121 | 2 | Structure-based virtual screening against SARS-3CL(pro) to identify novel non-peptidic hits. |
Bioorg Med Chem 16: 4138-49 (2008) | University of Mississippi | 2D 3D |
| 17855091 | 7 | Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors. |
Bioorg Med Chem Lett 17: 5876-80 (2007) | Purdue University | 2D 3D |
| 17709464 | 8 | Novel small-molecule inhibitors of transmissible gastroenteritis virus. |
Antimicrob Agents Chemother 51: 3924-31 (2007) | National Health Research Institute | 2D 3D |
| 17381079 | 8 | Design, synthesis, and evaluation of inhibitors for severe acute respiratory syndrome 3C-like protease based on phthalhydrazide ketones or heteroaromatic esters. |
J Med Chem 50: 1850-64 (2007) | University of Alberta | 2D 3D |
| 16913704 | 21 | Structure-based drug design and structural biology study of novel nonpeptide inhibitors of severe acute respiratory syndrome coronavirus main protease. |
J Med Chem 49: 5154-61 (2006) | National Defense Medical Center | 2D 3D |
| 16884309 | 5 | Synthesis, crystal structure, structure-activity relationships, and antiviral activity of a potent SARS coronavirus 3CL protease inhibitor. |
J Med Chem 49: 4971-80 (2006) | TaiGen Biotechnology Co. | 2D 3D |
| 16759091 | 28 | Discovery of a novel family of SARS-CoV protease inhibitors by virtual screening and 3D-QSAR studies. |
J Med Chem 49: 3485-95 (2006) | National Tsing Hua University | 2D 3D |
| 16759084 | 12 | Isatin compounds as noncovalent SARS coronavirus 3C-like protease inhibitors. |
J Med Chem 49: 3440-3 (2006) | Peking University | 2D 3D |
| 16638531 | 16 | Stable benzotriazole esters as mechanism-based inactivators of the severe acute respiratory syndrome 3CL protease. |
Chem Biol 13: 261-8 (2006) | Academia Sinica | 2D 3D |
| 16250632 | 2 | Design and synthesis of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease inhibitors. |
J Med Chem 48: 6767-71 (2005) | Purdue University | 2D 3D |
| 15994085 | 21 | Inhibition of the severe acute respiratory syndrome 3CL protease by peptidomimetic alpha,beta-unsaturated esters. |
Bioorg Med Chem 13: 5240-52 (2005) | National Taiwan University | 2D 3D |
| 15974598 | 9 | Discovery of potent anilide inhibitors against the severe acute respiratory syndrome 3CL protease. |
J Med Chem 48: 4469-73 (2005) | National Taiwan University | 2D 3D |
| 15950190 | 10 | Screening of drugs by FRET analysis identifies inhibitors of SARS-CoV 3CL protease. |
Biochem Biophys Res Commun 333: 194-9 (2005) | National Taiwan University | 2D 3D |
| 15896959 | 14 | Synthesis and evaluation of isatin derivatives as effective SARS coronavirus 3CL protease inhibitors. |
Bioorg Med Chem Lett 15: 3058-62 (2005) | Development Center for Biotechnology | 2D 3D |
| 37 | Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations |
ACS Cent Sci (2021) | Yale University | 2D 3D | |
| 32 | Optimization of Triarylpyridinone Inhibitors of the Main Protease of SARS-CoV-2 to Low-Nanomolar Antiviral Potency |
ACS Med Chem Lett 12: (2021) | Yale University | 2D 3D | |
| 9 | Inhibition of SARS-CoV-2 main protease by allosteric drug-binding |
bioRxiv 2020: (2020) | Center for Free-Electron Laser Science | 2D 3D | |
| 43 | Identification of inhibitors of SARS-CoV-2 3CL-Pro enzymatic activity using a small molecule in-vitro repurposing screen |
bioRxiv 2020: (2020) | Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD) | 2D 3D | |
| 4 | Discovery of potent inhibitors of PLproCoV2 by screening a library of selenium-containing compounds |
bioRxiv 1-12 (2020) | University ofAmsterdam | 2D 3D | |
| WO2006061714A2 | 12 | Anticoronaviral compounds and compositions, their pharmaceutical uses and materials for their synthesis |
WIPO WO2006061714A2 (2006) | Pfizer Inc. | 2D 3D |
| WO2005113580A1 | 101 | Anticoronviral compounds and compositions, their pharmaceutical uses and materials for their synthesis |
WIPO WO2005113580A1 (2005) | Pfizer Inc. | 2D 3D |
| US9975885 | 182 | Broad-spectrum non-covalent coronavirus protease inhibitors |
US Patent US9975885 (2018) | PURDUE RESEARCH FOUNDATION | 2D 3D |
| US10874687 | 12 | Highly active compounds against COVID-19 |
US Patent US10874687 (2020) | Atea Pharmaceuticals, Inc. | 2D 3D |
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