SARS-CoV-2 Main Protease Targeted Library

The whole world is fighting the pandemic of the new coronavirus SARS-CoV-2, which causes infectious lung disease COVID-19. The main target of drugs for this coronavirus is a protease (3C-like proteinase, 3CLpro, Mpro) because it is involved in the processing of polyproteins that are translated from viral RNA.

OTAVAchemicals and Montana Molecular provide a complete COVID-19 drug detection solution that combines proven compound libraries with functional cell assays and drug development services. This library is a powerful resource for researchers developing 3CLpro inhibitors, which will greatly simplify the development of safe therapeutic agents for the treatment of COVID-19. The library (1004 compounds) was developed with virtual screening based on receptors using the crystal structure (PDB ID: 6LU7) of the main protease SARS-CoV-2. The final selection of compounds was made by reviewing important structural determinants of the active site of the enzyme for ligand binding, coupling parameters and intermolecular hydrogen bonds with amino acid residues of the key active site.
The developed main library, targeting the SARS-CoV-2 protease, contains only medicinal compounds (PAINS compounds are filtered off). The library is intended for screening projects to find new compounds that have activity against SARS-CoV-2.