Table 3.
In silico activity of promising candidates for drug repositioning against COVID-19 (SARS-CoV-2)
| Reference | Compound | Clinical indication | In silico methods | |
|---|---|---|---|---|
| Molecular target | Computational method | |||
| Chen et al., 2020 [20] | Velpatasvir | Antiviral (hepatitis C) | SASR-CoV-2 protease (3CLpro) | Molecular docking (AutoDock Vina) |
| Ledipasvir | Antiviral (hepatitis C) | |||
| Diosmin | Venous insufficiency | |||
| Hesperidin | Venous insufficiency | |||
| Teniposide | Antitumoral | |||
| Etoposide | Antitumoral | |||
| Venetoclax | Antitumoral | |||
| Irinotecan | Antitumoral | |||
| Xu et al., 2020 [21] | Nelfinavir | Antiretroviral | SASR-CoV-2 protease (3CLpro) | Molecular docking (AutoDock Vina) |
| Pitavastatin | Hipolipemiant | |||
| Perampanel | Antiepileptic | |||
| Praziquantel | Anthelmintic | |||
| Zopiclone | Sedative hypnotic | |||
| Eszopiclone | Sedative hypnotic | |||
| Liu and Wang, 2020 [23] | Valrubicin | Antitumoral | SASR-CoV-2 protease (3CLpro) | Molecular docking (AutoDock Vina) |
| Icatibant | Angioedema | |||
| Bepotastine | Antiallergic | |||
| Epirubicin | Antitumoral | |||
| Epoprostenol | Antiplatelet agent | |||
| Vapreotide | Antitumoral | |||
| Aprepitant | Antiemetic, antitumoral | |||
| Caspofungin | Antifungal | |||
| Perphenazine | Antipsychotic | |||
| Colistin | Antibiotic | |||
| Li et al., 2020 [22] | Nelfinavir | Antiretroviral | SASR-CoV-2 protease (3CLpro) | Molecular docking (AutoDock Vina) |
| Prulifloxacin | Antibiotic | |||
| Bictegravir | Antiretroviral | |||
| Tegobuvir | Antiviral (hepatitis C) | |||
| Beck et al., 2020 [24] | Atazanavir | Antiretroviral | RdRp, helicase | MT-DTI model |
| Ganciclovir | Antiretroviral | |||
| Darunavir | Antiretroviral | |||
3CLpro, 3-chymotrypsin-like protease; RdRp, RNA-dependent RNA polymerase; MT-DTI, Molecule Transformer-Drug Target Interaction