A. M. Lesk, A. S. Konagurthu, L. Allison, M. Garcia de la Banda, P. J. Stuckey and D. Abramson

Proteins: Structure, Function and Bioinformatics, doi:10.1002/prot.25980, 14 July 2020

Abstract: We have modelled modifications of a known ligand to the SARS-CoV-2 (COVID-19) protease, that can form a covalent adduct, plus additional ligand-protein hydrogen bonds.

Notes: A "novel coronavirus" started infecting people in Wuhan, China in about November 2019. The virus was later named "SARS-CoV-2" and the disease that it causes "COVID-19". It soon began to spread around the world and a global pandemic was called on 11 March 2020. The virus is closely related to SARS-CoV (-1) which caused the SARS outbreak of 2003+. SARS-CoV-2 is thought to have originated in bats and to have jumped to humans via an intermediate animal species.