In Silico Database of In Vitro Tested Antiviral Compounds

Antivirals are drugs used to treat viral diseases by inhibiting the infection or replication of viruses. With the wide variety of viruses, it is crucial to constantly find new antiviral options. One approach is to reposition existing drugs, which is a more cost-effective and faster method than traditional research and development. The problem is that there is a lack of organized and standardized data on these drugs. This work aims to address this issue by creating a database of in vitro-tested antivirals. The information and compounds were collected from published in vitro antiviral studies. The database includes six different file formats (SMILES, MOL, SDF 2D, MOL2, PDB, and PDBQT) and categorizes the compounds based on their antiviral activity.