Table 2.
Ligands which were selected for molecular docking along with its structure obtained from DrugBank and the important activities.
| Sr. No. | Name | Structure | Function |
|---|---|---|---|
| 1 | Ritonavir |  |
Antiretroviral protease inhibitor, used as common anti HIV in combination with other protease inhibitors |
| 2 | Lopinavir |  |
Antiretroviral protease inhibitor, used as common anti HIV in combination with other protease inhibitors |
| 3 | Remdesivir |  |
Nucleotide analog, novel antiviral treatment for Ebola virus disease and Marburg virus infections, antiviral activity against other single stranded RNA viruses including MERS and SARS viruses |
| 4 | Oseltamivir |  |
An antiviral medication used to treat and prevent influenza A and influenza B (flu) |
| 5 | Ribavirin |  |
An antiviral medication used to treat RSV infection, hepatitis C and some viral hemorrhagic fevers |
| 6 | Mycophenolic acid (MPA) |  |
An immunosuppressant medication |
| 7 | Chloroquine |  |
Medication primarily used to prevent and treat malaria, used in compassionate treatment of patients with coronavirus infections during Covid19 pandemic |
| 8 | Hydroxychloroquine (HCQ) |  |
Prevent and treat malaria, an experimental treatment for coronavirus disease 2019 (COVID-19) |
| 9 | Pemirolast |  |
Pyrimidinone derivative with anti-allergic activity, anti-inflammatory |
| 10 | Eriodictyol |  |
Anti-inflammatory |
| 11 | Isoniazid |  |
Antituberculosis, anti HIV |