{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["16(4)"],"submitter":["Dooley AJ"],"pubmed_abstract":["Virtual screening, a fast, computational approach to identify drug leads [Perola, E.; Xu, K.; Kollmeyer, T. M.; Kaufmann, S. H.; Prendergast, F. G. J. Med. Chem.2000, 43, 401; Miller, M. A. Nat. Rev. Drug Disc.2002, 1 220], is limited by a known challenge in crystallographically determining flexible regions of proteins. This approach has not been able to identify active inhibitors of the severe acute respiratory syndrome-associated coronavirus (SARS-CoV) using solely the crystal structures of a SARS-CoV cysteine proteinase with a flexible loop in the active site [Yang, H. T.; Yang, M. J.; Ding, Y.; Liu, Y. W.; Lou, Z. Y. Proc. Natl. Acad. Sci. U.S.A.2003, 100, 13190; Jenwitheesuk, E.; Samudrala, R. Bioorg. Med. Chem. Lett.2003, 13, 3989; Rajnarayanan, R. V.; Dakshanamurthy, S.; Pattabirama"],"journal":["Bioorganic & medicinal chemistry letters"],"pagination":["830-3"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC7119130"],"repository":["biostudies-literature"],"pubmed_title":["From genome to drug lead: identification of a small-molecule inhibitor of the SARS virus."],"pmcid":["PMC7119130"],"pubmed_authors":["Shindo N","Park JG","Dooley AJ","Pang YP","Taggart B"],"additional_accession":[]},"is_claimable":false,"name":"From genome to drug lead: identification of a small-molecule inhibitor of the SARS virus.","description":"Virtual screening, a fast, computational approach to identify drug leads [Perola, E.; Xu, K.; Kollmeyer, T. M.; Kaufmann, S. H.; Prendergast, F. G. J. Med. Chem.2000, 43, 401; Miller, M. A. Nat. Rev. Drug Disc.2002, 1 220], is limited by a known challenge in crystallographically determining flexible regions of proteins. This approach has not been able to identify active inhibitors of the severe acute respiratory syndrome-associated coronavirus (SARS-CoV) using solely the crystal structures of a SARS-CoV cysteine proteinase with a flexible loop in the active site [Yang, H. T.; Yang, M. J.; Ding, Y.; Liu, Y. W.; Lou, Z. Y. Proc. Natl. Acad. Sci. U.S.A.2003, 100, 13190; Jenwitheesuk, E.; Samudrala, R. Bioorg. Med. Chem. Lett.2003, 13, 3989; Rajnarayanan, R. V.; Dakshanamurthy, S.; Pattabirama","dates":{"release":"2006-01-01T00:00:00Z","publication":"2006 Feb","modification":"2026-04-28T22:00:09.141Z","creation":"2020-05-22T15:47:33Z"},"accession":"S-EPMC7119130","cross_references":{"pubmed":["16325400"],"doi":["10.1016/j.bmcl.2005.11.018"]}}