SARS-CoV-2 2′-O-methyltransferase (NSP16) Targeted Library, which contains 1049 compounds with predicted activity against SARS-CoV-2 NSP16 is offered. The library has been designed with receptor-based virtual screening using crystal structure of SARS-CoV-2 2′-O-MTase (PDB ID: 6WKQ).
2′-O-methyltransferase (2′-O-MTase, non-structural protein 16, nsp16) can act as potential drug target for the SARS-CoV-2. It prevents recognition and activation of the host immune response which is essential for successful viral infection. OTAVAchemicals offers SARS-CoV-2 2′-O-methyltransferase (NSP16) Targeted Library (1049 compounds with predicted activity against SARS-CoV-2 NSP16). The library has been designed with receptor-based virtual screening using crystal structure of SARS-CoV-2 2′-O-MTase (PDB ID: 6WKQ). The overall procedure included accurate flexible docking of Drug-like Green Collection into methyltransferase catalytic site. Final selection of compounds was made with inspection of enzyme active site’s crucial structural determinants for ligand binding, docking scores and intermolecular hydrogen bonds with key active site’s amino acid residues.
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