药物重新定位的GHDDI数据分析

已经进行了全面的数据挖掘和分析工作,以呈现这些具有COVID-19治疗潜力的现有药物列表。分析基于不同的原理包括抗冠状病毒活性、广谱抗病毒活性和RNA依赖性RNA聚合酶(RDRP)等病毒靶标高度保守的抗病毒药物。我们将不断更新这些列表中的新发现。

既往冠状病毒相关药物发现记录的数据分析结果

收集先前发表冠状病毒实验结果阳性的候选药物。

Drug name DrugBank ID Mechanism of action Experimental activity Methods Measurement Value Unit
Remdesivir DB14761 Nucleobindin-1 (NUCB1) Inhibitors Severe acute respiratory syndrome (SARS-CoV) remission/reduction, IN VITRO Viral replication assay IC-50 1.00E-08 M
Emetine DB13393 Platelet-Derived Growth Factor (PDGF) Inhibitors;Signal Transduction Modulators;Angiogenesis Inhibitors Middle East respiratory syndrome coronavirus (MERS-CoV) remission/reduction, IN VITRO Cytopathicity assay IC-50 1.50E-07 M
Nafamostat mesilate DB12598 Tryptase Inhibitors Middle East respiratory syndrome coronavirus (MERS-CoV) remission/reduction, IN VITRO Vero cells (TMPRSS2-expressing) transfected with MERS IC-50 1.00E-09 M
Alisporivir DB12139 P-Glycoprotein (MDR-1; ABCB1) Inhibitors;Cyclophilin Inhibitors Coronavirus acute respiratory syndrome remission/reduction, IN VITRO RNA assay IC-50 8.00E-07 M
Niclosamide DB06803 Cytochrome P450 CYP1A2 Inhibitors;Quorum Sensing (Pseudomonas aeruginosa) Inhibitors;Neuropeptide Y4 (NPY Y4) Receptor Positive Allosteric Modulators;Autophagy Inducers;Wnt Signaling Inhibitors Severe acute respiratory syndrome (SARS-CoV) remission/reduction, IN VITRO Cytopathicity assay IC-50 1.00E-07 M
Rupintrivir DB05102 HRV 3C Protease Inhibitors Coronavirus acute respiratory syndrome remission/reduction, IN VITRO Viral replication assay IC-50 3.00E-07 M
Geldanamycin DB02424 Signal Transduction Modulators;Heat Shock Protein 90 (Hsp90) Inhibitors Severe acute respiratory syndrome (SARS-CoV) remission/reduction, IN VITRO IC-50 9.10E-07 M
Sinefungin DB01910 Coactivator Associated Arginine Methyltransferase 1 (CARM1; PRMT4) Inhibitors;Histone-Lysine N-Methyltransferase SETD7 (SET7/9) Inhibitors;Protein-L-Isoaspartate(D-Aspartate) O-Methyltransferase (PCMT1; PIMT) Inhibitors;Epigenetic Modifier Modulators Replicase Polyprotein 1ab (pp1ab) (SARS) inhibition, IN VITRO IC-50 3.83E-07 M
Mycophenolic acid sodium salt DB01024 Inosine 5'-Monophosphate Dehydrogenase (IMPDH) Inhibitors Middle East respiratory syndrome coronavirus (MERS-CoV) remission/reduction, IN VITRO Cytopathicity assay IC-50 1.70E-07 M
Mycophenolate mofetil DB00688 Hydroxycarboxylic Acid Receptor 2 (HCAR2; NIACR1; GPR109A) Agonists;Signal Transduction Modulators;Inosine 5'-Monophosphate Dehydrogenase (IMPDH) Inhibitors Coronavirus acute respiratory syndrome remission/reduction, IN VITRO Viral replication assay IC-50 2.30E-07 M
Chloroquine DB00608 Coronavirus acute respiratory syndrome remission/reduction, IN VITRO IC-50 8.00E-10 M
Gemcitabine hydrochloride DB00441 Ribonucleoside-Diphosphate Reductase Inhibitors;Pyrimidine Antagonists Coronavirus acute respiratory syndrome remission/reduction, IN VITRO Cytopathicity assay IC-50 4.40E-07 M
Promazine DB00420 Signal Transduction Modulators;Dopamine Receptor Antagonists Coronavirus acute respiratory syndrome remission/reduction, IN VITRO Cytopathicity assay MIC 1.00E-07 M
Azithromycin DB00207 Nonsense Mutation Suppressors;50S Ribosomal Protein Inhibitors Middle East respiratory syndrome coronavirus (MERS-CoV) remission/reduction, IN VITRO Luciferine/luciferase assay IC-50 1.00E-07 M
cyclosporin DB00091 Cyclophilin Inhibitors;Mitochondrial Permeability Transition (MPT) Inhibitors Coronavirus acute respiratory syndrome remission/reduction, IN VITRO RNA assay IC-50 8.00E-07 M

广谱抗病毒数据分析结果

基于体外病毒感染试验结果(EC50≤1 μM)和临床数据(体内活性),我们确定了51个分子对至少5种病毒。 顶部51 DVI图

Drug name ID Number of virus species Virus species list Discovered MOA
Tenofovir DB14126 15 FLUAV;HCV;HBV;HSV;ADV;DENV;Parainfluenza virus;RSV;Rhinovirus;CMV;VZV;Xenotropic murine leukemia virus-related virus;HIV-2;HIV-1;HSV 2 Reverse Transcriptase/Ribonuclease H (HIV-1) Inhibitors;Reverse Transcriptase/Ribonuclease H (Viral) Inhibitors
Brincidofovir DB12151 13 EBOV;CMV;HSV;VZV;BKV;ADV;JC polyomavirus;EBV;HTLV-1;HPV;HSV 1;VACV;HSV-6 DNA Polymerase Inhibitors
Nitazoxanide DB00507 13 FLUAV;FLUBV;HBV;HCV;DENV;RSV;ADV;NoV;RuV;HIV-1;JEV;MERS-CoV;ZIKV Signal Transduction Modulators;Viral Maturation Inhibitors;Pyruvate Synthase (Pyruvate-Ferredoxin Oxidoreductase; PFOR) (Protozoal) Inhibitors;Myc Proto-Oncogene Protein (c-Myc) Inhibitors;Hemagglutinin (HA) (Viral) Inhibitors;Protein Disulfide-Isomerase A3 (PDIA3) Inhibitors;Viral Fusion Inhibitors;Pyruvate Synthase (Pyruvate-Ferredoxin Oxidoreductase; PFOR) (Bacterial) Inhibitors
Mycophenolic acid DB01024 13 Avian flu;HCV;FLUBV;Filovirus;FLUAV;MERS-CoV;CoV;WNV ;DENV;ZIKV;RSV;Parainfluenza virus;BKV Inosine 5'-Monophosphate Dehydrogenase (IMPDH) Inhibitors
Tenofovir alafenamide fumarate DB09299 11 FLUAV;HCV;HBV;HSV;Parainfluenza virus;ADV;DENV;RSV;Rhinovirus;CMV;VZV Reverse Transcriptase/Ribonuclease H (HIV-1) Inhibitors;Reverse Transcriptase/Ribonuclease H (Viral) Inhibitors
Ribavirin DB00811 11 Avian flu;FLUBV;HCV;FLU;FLUAV;RSV;EV;Parainfluenza virus;HSV;HEV;LASV Inosine 5'-Monophosphate Dehydrogenase (IMPDH) Inhibitors;Equilibrative Nucleoside Transporter ENT1 Inhibitors
[(2R,3R,4S,5S)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxypyrrolidin-2-yl]methyl (2S)-2-amino-3-methylbutanoate CID: 71761401 10 Filovirus;SARS-CoV;FLUAV;FLUBV;Parainfluenza virus;DENV;ADV;Rhinovirus;RSV;WNV RNA Polymerase Inhibitors
Remdesivir DB14761 10 MERS-CoV;Filovirus;EBOV;CoV;SARS-CoV;MARV;HCV;RSV;ZIKV;2019nCoV Nucleobindin-1 (NUCB1) Inhibitors
Tilorone hydrochloride CID: 33958 10 CHIKV;CMV;EBOV;HAV;HBV;HCV;HSV 1;MARV;MERS-CoV;WNV Signal Transduction Modulators;Interferon Inducers
Cidofovir DB00369 10 CMV;HSV;EBV;VZV;JC polyomavirus;ADV;BKV;HSV 1;HSV 2;HPV DNA Polymerase Inhibitors
PTC299 CID: 49787172 9 FLUAV;HCV;PV;Parainfluenza virus;WNV ;RSV;ADV;HSV;DENV Signal Transduction Modulators;Vascular Endothelial Growth Factor (VEGF) Inhibitors;Angiogenesis Inhibitors
(4-chlorophenyl) (1S)-6-chloro-1-[4-[(3S)-3,4-dihydroxybutoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate CID: 67986080 8 FLUAV;PV;ADV;Parainfluenza virus;WNV ;RSV;HSV;DENV VEGF Expression Inhibitors;Angiogenesis Inhibitors
Favipiravir DB12466 8 FLUAV;FLUBV;FLUCV;2019nCoV;CCHFV;CHIKV;EBOV;MARV Viral Polymerase Inhibitors
OSU-03012 CID: 10027278 8 Filovirus;FLUAV;MARV;EBOV;HCV;ZIKV;HSV;DENV Acetyl-Coenzyme A Synthetase (Fungal) Inhibitors;Signal Transduction Modulators;Heat Shock Protein 90 (Hsp90) Inhibitors;Phosphoinositide Dependent Kinase (PDK) 1 Inhibitors;Serine/Threonine-Protein Kinase PKH2 (Fungal) Inhibitors;Heat Shock Protein 70 (Hsp70) Inhibitors;Apoptosis Inducers
valaciclovir DB00577 7 HSV;CMV;EBV;HBV;HSV 1;HSV 2;VZV DNA Polymerase Inhibitors; DNA Directed DNA Polymerase Inhibitors
Chloroquine DB00608 7 CoV;DENV;HIV-1;CHIKV;EBOV;FLUAV;HCV
Ciclosporin DB00091 7 HCV;FLUBV;CoV;HBV;FLUAV;HIV-1;CMV Cyclophilin D Inhibitors;Signal Transduction Modulators;Serine/Threonine-Protein Phosphatase 2B (PPP3CC; PP2Bgamma; Calcineurin) Inhibitors;INS Expression Inhibitors
Silvestrol CID: 11787114 7 CoV;HCV;MERS-CoV;EBOV;EBV;HPV;Rhinovirus Eukaryotic Initiation Factor 4A (eIF4A) Inhibitors;Apoptosis Inducers
Sirolimus DB00877 7 CMV;HCV;BKV;FLUAV;HIV-1;KSHV;RVFV CCR5 Expression Inhibitors;Signal Transduction Modulators;Proteasome Inhibitors;Drugs Targeting B-Lymphocyte Antigen CD19;Mammalian Target of Rapamycin (mTOR; FRAP1) Inhibitors
Deferiprone DB08826 7 CMV;BKV;VZV;JC polyomavirus;HSV;ADV;EBV Chelating Agents; Cytochrome P450 CYP4F2 Inhibitors; Iron Absorption Inhibitors; Lipoxygenase 5 Inhibitors
NITD-008 CID: 136896143 6 Filovirus;HCV;EV;DENV;ZIKV;WNV RNA-Directed RNA Polymerase (NS5) (Dengue Virus) Inhibitors
Aciclovir DB00787 6 HBV;HSV;VZV;EBV;HSV 1;HSV 2 DNA Polymerase Inhibitors
KIN-269 CID: 86263464 6 FLUAV;CoV;FLUBV;RSV;WNV ;DENV Interferon Regulatory Factor 3 (IRF-3) Activators
(-)-Epigallocatechin gallate DB12116 6 ADV;HCV;CMV;HSV;FLUAV;ZIKV SGLT-1 Inhibitors;Tumor NADH Oxidase (tNOX) Inhibitors;Immune Checkpoint Inhibitors;Viral Attachment Inhibitors;Aromatase Inhibitors;beta-Amyloid (Abeta) Aggregation Inhibitors;VEGFR-2 (FLK-1/KDR) Inhibitors;Efflux Pump (Bacterial) Inhibitors;NF-kappaB (NFKB) Activation Inhibitors;Fatty Acid Synthase (FAS) Inhibitors;Signal Transduction Modulators;Dual-Specificity Tyrosine-(Y)-Phosphorylation Regulated Kinase 1A (DYRK1A) Inhibitors;Proteasome Inhibitors;Indoleamine 2,3-dioxygenase 1 (IDO1; IDO) Inhibitors;beta-Amyloid (Abeta) Protein Neurotoxicity Inhibitors;AP-1 Transcription Factor Complex Inhibitors;Glycoprotein 120 (gp120) Inhibitors;PDGFR Family Inhibitors;beta-Secretase (BACE) Inhibitors;Prolyl Endopeptidase (prolyl oligopeptidase; POP) Inhibitors;Antioxidants;Telomerase Reverse Transcriptase (TERT) Inhibitors;Antiamyloidogenic Agents;Angiogenesis Inhibitors;Serine Protease NS3 (HCV) Inhibitors;Wnt Signaling Inhibitors
Sunitinib malate DB01268 6 HCV;EBOV;RSV;DENV;ZIKV;WNV Proto-Oncogene Tyrosine-Protein Kinase Receptor Ret (RET; CDHF12; PTC) Inhibitors;VEGFR-3 (FLT4) Inhibitors;VEGFR-2 (FLK-1/KDR) Inhibitors;Signal Transduction Modulators;PDGFRbeta Inhibitors;KIT (C-KIT) Inhibitors;Leucine-Rich Repeat Kinase 2 (LRRK2; Dardarin) Inhibitors;CSF1R (c-FMS) Inhibitors;Flt3 (FLK2/STK1) Inhibitors;VEGFR-1 (Flt-1) Inhibitors;Angiogenesis Inhibitors
Lamivudine DB00709 6 HBV;HCV;EV;EBV;HIV-1;HIV-2 DNA Polymerase Inhibitors;Reverse Transcriptase/Ribonuclease H (HIV-1) Inhibitors;Reverse Transcriptase/Ribonuclease H (Viral) Inhibitors
Azithromycin DB00207 6 EBOV;SARS-CoV;MERS-CoV;RSV;FLUAV;HIV-1 Nonsense Mutation Suppressors;50S Ribosomal Protein Inhibitors
NHC CID: 197020 6 HCV;Avian flu;SARS-CoV;FLUBV;FLUAV;RSV
3-Bromo-3-deazaneplanocin CID: 66552950 6 FLUAV;FLUBV;Filovirus;EBV;HSV;Parainfluenza virus
Ganciclovir DB01004 6 CoV;HSV;CMV;VZV;EBV;ADV DNA Polymerase Inhibitors
Zidovudine DB00495 6 Avian flu;Xenotropic murine leukemia virus-related virus;EBV;EV;HSV;HTLV-1 P-Glycoprotein (MDR-1; ABCB1) Inhibitors;Breast Cancer-Resistant Protein (BCRP; ABCG2) Inhibitors;Reverse Transcriptase/Ribonuclease H (HIV-1) Inhibitors
ABI-1968 CID: 135565845 6 HBV;HSV;CMV;BKV;HPV;JC polyomavirus
aUY-11 CID: 52914323 5 FLU;HCV;FLUAV;CMV;HSV Viral Fusion Inhibitors
Geldanamycin DB02424 5 SARS-CoV;HCV;HBV;CMV;HSV Signal Transduction Modulators;Heat Shock Protein 90 (Hsp90) Inhibitors
ODE-(S)HPMPA CID: 10031478 5 HCV;HBV;HSV;ADV;CMV
HDP-PME-cPr-DAP CID: 15958371 5 HBV;EBV;CMV;VZV;HSV
Di-O-decanoylcurcumin CID: 46866178 5 FLUAV;FLUBV;HSV;RSV;Parainfluenza virus
[(2S,3S,5R)-3-(dimethylamino)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2S)-2-amino-3-phenylpropanoate CID: 46933910 5 FLUAV;FLUBV;RSV;HSV;Parainfluenza virus
Erlotinib hydrochloride DB00530 5 Filovirus;HCV;RSV;EBOV;DENV Signal Transduction Modulators;EGFR (HER1; erbB1) Inhibitors
NITD-982 CID: 53362039 5 FLUAV;FLUBV;HCV;DENV;RSV Dihydroorotate Dehydrogenase (DHODH) Inhibitors
Di-O-tryptophanylphenylalaninecurcumin CID: 46866177 5 FLUAV;FLUBV;RSV;HSV;Parainfluenza virus
Lycorine CID: 72378 5 CoV;HCV;SARS-CoV;DENV;WNV
(2S,4R)-4-(1H-Benzimidazol-2-ylsulfanyl)-1-(9H-fluoren-2-ylmethyl)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide CID: 56854033 5 FLUBV;HCV;FLUAV;DENV;RSV
Lobucavir DB12531 5 HBV;HSV;VZV;CMV;HIV-1 DNA Polymerase Inhibitors
C4-Ethyl-O-gamma-folylcurcumin CID: 135934890 5 FLUAV;FLUBV;RSV;HSV;Parainfluenza virus
Lopinavir DB01601 5 HIV-1;HIV-2;MERS-CoV;2019nCoV;ZIKV HIV Protease Inhibitors
Gemcitabine hydrochloride DB00441 5 FLUAV;CoV;HCV;ZIKV;HSV Ribonucleoside-Diphosphate Reductase Inhibitors;Pyrimidine Antagonists
4-amino-1-[(2R,4R,5R)-5-azido-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one CID: 23519651 5 Filovirus;EBOV;HCV;RSV;Parainfluenza virus RNA-Directed RNA Polymerase (NS5B) (HCV) Inhibitors;RNA-Directed RNA Polymerase (Respiratory Syncytial Virus) Inhibitors
HPMPA-(S) CID: 72253 5 VZV;HSV;EBV;CMV;ADV
Oseltamivir DB00198 5 FLUAV;FLU;Avian flu;FLUBV;Parainfluenza virus Neuraminidase (Sialidase) (Influenza Virus) Inhibitors
LDC-4297 CID: 71730493 5 FLUAV;CMV;HSV;VZV;ADV Signal Transduction Modulators;Cyclin-Dependent Kinase 7 (CDK7) Inhibitors;Apoptosis Inducers

从不同试验中选择的具有RDRP抑制MOA的顶级抗病毒候选药物

Drug name DrugBank ID Mechanism of action Experimental activity Measurement Value Unit
Beclabuvir DB12225 RNA-Dependent RNA Polymerase (NS5B) (HCV) Inhibitors Hepatitis C (HCV) remission/reduction, IN VITRO IC-50 3.00E-09 M
Remdesivir DB14761 RNA-Dependent RNA Polymerase Inhibitor Ebola virus disease remission/reduction, IN VITRO IC-50 1.00E-08 M
Valopicitabine DB13920 RNA-Dependent RNA Polymerase (NS5B) (HCV) Inhibitors Hepatitis C (HCV) remission/reduction, IN VITRO IC-50 9.00E-08 M
Mericitabine DB12045 RNA-Dependent RNA Polymerase (NS5B) (HCV) Inhibitors Hepatitis C (HCV) remission/reduction, IN VITRO IC-50 1.30E-07 M
Lumicitabine DB14808 RNA-Dependent RNA Polymerase (Respiratory Syncytial Virus) Inhibitors Infection, respiratory syncytial virus (RSV) remission/reduction, IN VITRO IC-50 2.60E-07 M
Sofosbuvir DB08934 RNA-Dependent RNA Polymerase (NS5B) (HCV) Inhibitors Infection, dengue virus remission/reduction, IN VITRO IC-90 4.00E-07 M
Adafosbuvir DB14906 RNA-Dependent RNA Polymerase (NS5B) (HCV) Inhibitors Infection, dengue virus remission/reduction, IN VITRO IC-50 1.10E-06 M
Balapiravir hydrochloride DB12283 RNA-Dependent RNA Polymerase (NS5B) (HCV) Inhibitors Infection, dengue virus remission/reduction, IN VITRO IC-50 1.9E-06 M
Galidesivir DB11676 RNA-Dependent RNA Polymerase Inhibitors Infection, Zika virus remission/reduction, IN VITRO IC-50 2.96E-06 M
Favipiravir DB12466 RNA-Dependent RNA Polymerase Inhibitors Infection, rabies virus remission/reduction, IN VITRO MIC 4.0E-06 M
  • 根据相应试验的最佳IC-50测量值选择的化合物。


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上次更新:September 15, 2022