Table 4.
List of top 15 drugs having the best binding affinity to RdRp.
| ZINC ID and/or Drug Name | 2D Structure | Vina Binding Affinity (kcal/mol) | Clinical Trial |
|---|---|---|---|
| ZINC000003932831 / Dutasteride |  |
−9.9 | Indicated for the treatment of symptomatic benign prostatic hyperplasia (BPH) in men with an enlarged prostate gland |
| ZINC000052955754 / Ergotamine |  |
−9.8 | For use as therapy to abort or prevent vascular headache |
| ZINC000004198852 / d-Tubocurarine |  |
−9.5 | Used as a diagnosis agent for myasthenia gravis, and also to facilitate the intubation after induction of anesthesia in surgical procedure |
| ZINC000003784182 / Differin |  |
−9.5 | For the topical treatment of comedo, papular and pustular acne (acne vulgaris) of the face, chest or back. |
| ZINC000011679756 / Eltrombopag |  |
−9.5 | Thrombopoietin receptor agonists are pharmaceutical agents that stimulate platelet production in the bone marrow |
| ZINC000012503187 / Conivaptan |  |
−9.4 | For the treatment of euvolemic or hypervolemic hyponatremia in hospitalized patients |
| ZINC000100016058 / Tipranavir |  |
−9.3 | For combination antiretroviral treatment of HIV-1 infected adult patients with evidence of viral replication, who are highly treatment-experienced or have HIV-1 strains resistant to multiple protease inhibitors |
| ZINC000003978005 / Dihydroergotamine |  |
−9.3 | For the acute treatment of migraine headaches with or without aura and the acute treatment of cluster headache episodes |
| ZINC000064033452 / Lumacaftor |  |
−9.3 | lumacaftor is indicated for the treatment of cystic fibrosis (CF) in patients age 6 years and older who are homozygous for the F508del mutation in the CFTR gene. |
| ZINC000011681563 / Netupitant |  |
−9.2 | for use in combination with palonosetron for the prevention of acute and delayed vomiting and nausea associated with cancer chemotherapy including highly emetogenic chemotherapy |
| ZINC000253632968 / Simeprevir |  |
−9.2 | Indicated for the treatment of adults with chronic hepatitis C virus (HCV) infection: |
| ZINC000000538658 / Tolvaptan |  |
−9.2 | Treatment of symptomatic and resistant to fluid restriction euvolemic or hypervolemic hyponatremia associated with congestive heart failure, and cirrhosis. |
| ZINC000001757652 / Silibinin |  |
−9.2 | Currently being tested as a treatment of severe intoxications with hepatotoxic substances |
| ZINC000001550477 / Lapatinib |  |
−9.2 | Indicated in combination with capecitabine for the treatment of patients with advanced or metastatic breast cancer |
| ZINC000001542113 / Vilazodone |  |
−9.2 | Vilazodone is approved for treatment of major depressive disorder |