TABLE 1.
Recent studies used the docking strategy of different pharmacological classes against COVID‐19
| Biomolecule | Target proteins | Therapeutic assessment | Refs. |
|---|---|---|---|
| Curcumin | Spike glycoproteins, nucleocapsid phosphoprotein, membrane glycoprotein & nsp10, RNA‐dependent RNA polymerase |
Promising binding affinity against nucleocapsid & nsp10 High antiviral activity |
Suravajhala et al. (2020) |
| Ivermectin | 3CLpro and S protein | Disrupting viral replication and attachment. | Low et al. (2022) |
| Sofosbuvir, Ribavirin, Galidesivir, Remdesivir, Favipiravir, Cefuroxime, Tenofovir, Hydroxychloroquine, and IDX‐184 | RdRp |
Tightly binds to RdRp active site Setrobuvir, YAK, and IDX‐184 showed higher affinity to RdRp |
Elfiky (2021) |
| Iron oxide nanoparticles (Fe2O3 and Fe3O4) | Spike protein receptor‐binding domain (S1‐RBD) | Effective interaction with the S1‐RBD | Abo‐Zeid et al. (2020) |
| Teicoplanin | Cathepsin L |
Blocking the Cathepsin L Preventing virus entrance into the cytoplasm |
Vimberg (2021) |
| Viomycin | 3CLpro |
High ‐CDocker energy High H‐bonds with Mpro Placed well in the binding pocket |
Mahanta et al. (2021) |
| Jensenone | Mpro/chymotrypsin‐like protease (3CLpro) | A strong complex formed between Mpro/Jensenone | Sharma and Kaur (2020) |
| Leupeptin, hemisulphate, pepstatin A, nelfinavir, lypression, birinapant, and octreotide | Mpro |
Have significant MM‐GBSA score Forming stable interactions with hot‐spot residues |
Mittal et al. (2021) |
| Terpenoid (T3) from marine sponge Cacospongia mycofijiensis | Mpro | Remarkable SARS CoV‐2 Mpro inhibitory activity | Sabe et al. (2021) |
| Amodiaquine & Ribavirin | Mpro | Great affinity with a high‐lying HOMO, electrophilicity index, basicity, & dipole moment. | Hagar et al. (2020) |
| Eucalyptol (1,8 cineole) | Mpro/3CLpro | Strong complex formed between Mpro/eucalyptol | Sharma (2020) |
| Dithymoquinone (DTQ) | ACE2 | High affinity and stability at SARS‐CoV‐2:ACE2 | Ahmad et al. (2020) |
| Zanamivir, Indinavir, Saquinavir, & Remdesivir | Spike glycoprotein & the 3CL protease | Potential 3CLpro proteinase inhibitors | Hall Jr and Ji (2020) |
| Nigellidine, & α‐ Hederin | 3CLpro/Mpro | Strong inhibitor effect on 3CLpro/Mpro | Bouchentouf and Missoum (2020) |