| Main protease targeted library |
Life chemicals (Niagara-on-the-Lake ON, Canada) |
2,300 |
Glide by Schrödinger, SP mode was used to search Life chemicals HTS collection, by using the main protease of SARS-CoV-2 in complex with an inhibitor N3. |
| Antiviral Library by 2D Similarity |
Life chemicals |
19,244 |
Antiviral Screening Compounds Library was designed with 2D fingerprint similarity search against the 41,514 biologically active compounds from therapeutically relevant viral assays from different virus species. |
| Antiviral Library by Combined Ligand-based and Structure-based Approaches |
Life chemicals |
3,500 |
Antiviral protein targets were collected from the RCSB PDB. The reference antivirals were collected from ChEMBLdb and clustered according to the target. The top compounds were docked into the target protein and ranked. |
| Antiviral library |
Asinex (Winston-Salem, NC USA) |
6,827 |
Small molecules and macrocycles with antiviral activity. Specific designs include a-helix mimetics, glycomimetic, diverse synthetic macrocyles, and tri/tetra-substituted scaffolds. |
| Enamine antiviral library |
Enamine (Monmouth Jct., NJ, USA) |
4,842 |
Nucleoside-like antiviral agents or Nucleoside mimetics from screening collection. The compounds contain natural-like moieties and diverse heterocycles as bioisosters of nucleosides. |
| Antiviral compound library |
Selleck (Houston, Texas, United States) |
347 |
Collection of antiviral compounds |
| Total no. of compounds |
37,060 |
