SARS-CoV-2 NSP16 Targeted Library

We offer SARS-CoV-2 2′-O-methyltransferase (NSP16) Targeted Library, which contains 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. 2′-O-methyltransferase (2′-O-MTase, non-structural protein 16, nsp16) provides the viral mRNA with the ability to camouflage and obscure itself from the host cell, thus preventing recognition and activation of the host immune response which is essential for successful viral infection. Therefore, this protein can act as potential drug target for the SARS-CoV-2.Drug-like Green Collection accurate flexible was docked into methyltransferase catalytic site overall procedure included. We selected of compounds in final 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.