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。
| 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。
上次更新：September 15, 2022