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Data for Coronaviruses: COVID-19, MERS & SARS
Special Covid-19 pages are also available at BioGRID and Guide to Pharmacology.

PMIDDataArticle TitleCitationOrganizationFiles Download
34347470 98 Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CLBDB 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.BDB 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 BDB 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.BDB 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 modelBDB Science (2021) Sichuan University 2D 3D
33283984 11 A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease InhibitorsBDB 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.BDB bioRxiv (2020) Pfizer Inc. 2D 3D
32852058 301 The recent outbreaks of human coronaviruses: A medicinal chemistry perspective.BDB 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.BDB 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.BDB 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.BDB 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.BDB 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.BDB 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 BDB 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.BDB 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.BDB 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.EBI 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.EBI 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.EBI 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.BDB 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.BDB 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.BDB 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.EBI Bioorg Med Chem Lett 17: 5876-80 (2007) Purdue University 2D 3D
17709464 8 Novel small-molecule inhibitors of transmissible gastroenteritis virus.EBI 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.EBI 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.BDB 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.BDB 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.BDB 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.EBI 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.BDB 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.EBI 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.BDB 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.BDB 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.BDB 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.EBI 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 CalculationsBDB 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 PotencyBDB ACS Med Chem Lett 12: (2021) Yale University 2D 3D
  9 Inhibition of SARS-CoV-2 main protease by allosteric drug-bindingBDB 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 screenBDB 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 compoundsBDB bioRxiv 1-12 (2020) University ofAmsterdam 2D 3D
WO2006061714A212 Anticoronaviral compounds and compositions, their pharmaceutical uses and materials for their synthesisBDB WIPO WO2006061714A2 (2006) Pfizer Inc. 2D 3D
WO2005113580A1101 Anticoronviral compounds and compositions, their pharmaceutical uses and materials for their synthesisBDB WIPO WO2005113580A1 (2005) Pfizer Inc. 2D 3D
US9975885182 Broad-spectrum non-covalent coronavirus protease inhibitorsBDB US Patent US9975885 (2018) PURDUE RESEARCH FOUNDATION 2D 3D
US1087468712 Highly active compounds against COVID-19BDB US Patent US10874687 (2020) Atea Pharmaceuticals, Inc. 2D 3D
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