Table 1.
Drugs identified significantly interact with RdRp.
| Drug category | Drug Bank Drug ID | Drug Bank Drug Name | Drug mechanism | Binding affinity |
|---|---|---|---|---|
| Anti-inflammatory drug | ||||
| DB11611 | Lifitegrast | Lifitegrast inhibits an integrin | -8.7 | |
| DB08995 | Diosmin | A topical anesthetic and an anti-inflammatory agent | -8.7 | |
| DB04703 | Hesperidin | Tyrosin kinase activity | -8.9 | |
| Anti-allergy drug | ||||
| DB00549 | Zafirlukast | Leukotriene Receptor Antagonists | -8.5 | |
| DB01003 | Cromoglicic acid | Inhibiting the release of chemical mediators from sensitized mast cells | -8.9 | |
| Anti-bacterial drug | ||||
| DB12127 | Sultamicillin | Prevention and treatment of Ventilator-Associated Pneumonia and Chronic Obstructive Pulmonary Disease | -8.8 | |
| DB00430 | Cefpiramide | Inhibiting bacterial cell wall biosynthesis | -8.9 | |
| DB04918 | Zevtera; Ceftobiprole | Inhibiting bacterial cell wall biosynthesis is active against methicillin-resistant Staphylococcus aureus. | -8.7 | |
| DB01329 | Ceftobiprole | Inhibiting the bacterial cell wall synthesis | -8.7 | |
| DB01051 | Novobiocin | Novobiocin binds to DNA gyrase and blocks adenosine triphosphatase (ATPase) activity. | -8.5 | |
| DB09335 | Alatrofloxacin | Anti-bacterial effect by preventing bacterial DNA from unwinding and duplicating. | -9.0 | |
| DB09050 | Ceftolozane | Inhibiting bacterial cell wall biosynthesis | -8.9 | |
| DB01212 | Ceftriaxone | Inhibiting bacterial cell wall biosynthesis | -9.0 | |
| DB12434 | Steviolbioside | Inhibit mycobacterium | -8.5 | |
| Antidepressant drug | ||||
| DB13520 | Metergoline | Antipsychotics | -8.6 | |
| DB01267 | Paliperidone | Antipsychotics, 2nd Generation | -8.6 | |
| DB08815 | Lurasidone | Antipsychotics, 2nd Generation | -8.5 | |
| DB06684 | Vilazodone | Antidepressants, SSRI/5HT-1A Partial Agonist | -8.5 | |
| Antidiabetics drug | ||||
| DB08882 | Linagliptin | Dipeptyl Peptidase-IV Inhibitors | -9.2 | |
| DB00222 | Glimepiride | Sulfonylureas | -8.6 | |
| Antifungal drug | ||||
| DB01167 | Itraconazole | Inhibits cytochrome P-450-dependent enzymes resulting in impairment of ergosterol synthesis | -8.5 | |
| DB00826 | Natamycin | Inhibits fungal growth by binding to sterols | -9.4 | |
| Anti-migraine | ||||
| DB00696 | Ergotamine | Ergot Derivatives | -9.5 | |
| DB00320 | Dihydroergotamine | Ergot Derivatives | -9.4 | |
| Antiviral drug | ||||
| DB06817 | Raltegravir | HIV, Integrase Inhibitors | -9.5 | |
| BPH& impotency drug | ||||
| DB00590 | Doxazosin | Alpha-Blockers | -9.3 | |
| DB01126 | Dutasteride | 5-Alpha-Reductase Inhibitors | -8.8 | |
| DB00820 | Tadalafil | PAH, PDE-5 Inhibitors; Phosphodiesterase-5 Enzyme Inhibitors | -9.2 | |
| DB06237 | Avanafil | Phosphodiesterase-5 Enzyme Inhibitors | -9.0 | |
| Cardiovascular drug | ||||
| DB11577 | Indigotindisulfonic acid | Coloring Agents | -8.6 | |
| DB04861 | Nebivolol | Adrenergic beta-1 Receptor Agonizts | -8.7 | |
| DB08822 | Azilsartan medoxomil | ARBs (Angiotensin II receptor blocker) | -9.2 | |
| DB11691 | Naldemedine | Peripherally-Acting Mu-Opioid Receptor Antagonists (PAMORA) | -8.9 | |
| DB11995 | Avatrombopag | Thrombopoietic Agents (BCRP/ABCG2 Inhibitors) | -8.9 | |
| DB00872 | Conivaptan | Vasopressin-related | -8.8 | |
| DB06210 | Eltrombopag | Hematopoietic Growth Factors | -9.0 | |
| Anticoagulant | ||||
| DB09075 | Edoxaban | Factor Xa Inhibitors | -8.7 | |
| Anticancer drug | ||||
| DB11791 | Capmatinib | MET Tyrosine Kinase Inhibitors | -8.5 | |
| DB01259 | Lapatinib | HER2/ERBB2 and HER1/EGFR/ERBB1 tyrosine kinases inhibitor. | -9.4 | |
| DB05812 | Abiraterone | Antiandrogen | -8.7 | |
| DB00563 | Methotrexate | DMARDs, Immunomodulators; Immunosuppressants | -8.5 | |
| DB12001 | Abemaciclib | CDK Inhibitors; Immunosuppressives, | -8.5 | |
| DB00444 | Teniposide | Podophyllotoxin Derivatives | -8.8 | |
| DB00773 | Etoposide | Podophyllotoxin Derivatives | -8.6 | |
| DB00762 | Irinotecan | Topoisomerase Inhibitors | -9.4 | |
| DB11986 | Entrectinib | Tyrosine Kinase Inhibitor | -9.4 | |
| DB04868 | Nilotinib | Tyrosine Kinase Inhibitor | -9.2 | |
| DB06595 | Midostaurin | Tyrosine Kinase Inhibitor | -9.1 | |
| DB08901 | Ponatinib | Tyrosine Kinase Inhibitor | -8.6 | |
| DB01254 | Dasatinib | Tyrosine Kinase Inhibitor; Immunosuppressives | -9.1 | |
| DB00619 | Imatinib | Tyrosine Kinase Inhibitor; PDGFR-alpha Inhibitors; CYP3A4 Inhibitor | -8.9 | |
| DB09280 | Lumacaftor | CFTR Correctors; CFTR Potentiators | -9.1 | |
| DB11942 | Selinexor | Selective Inhibitors of Nuclear Export (SINE); tumor suppressor proteins (TSPs) | -9.2 | |
| Other drugs | ||||
| DB01452 | Diamorphine | Analgesics | -8.6 | |
| DB00137 | Lutein | Lutein helps protect from oxidative stress and high-energy light | -8.6 | |
| DB08827 | Lomitapide | Lipid-Lowering Agents, MTP Inhibitor | -8.7 | |
| DB00157 | NADH | Metabolic & Endocrine, Herbals; Neurology & Psychiatry, Herbals | -8.6 | |
| DB11176 | Zeaxanthin | Prevention of age-related macular degeneration | -8.5 | |