title: Individual and common inhibitors of coronavirus and picornavirus main proteases.
abstract: Picornaviruses (PV) and coronaviruses (CoV) are positive-stranded RNA viruses which infect millions of people worldwide each year, resulting in a wide range of clinical outcomes. As reported in this study, using high throughput screening against approximately 6800 small molecules, we have identified several novel inhibitors of SARS-CoV 3CL(pro) with IC(50) of low microM. Interestingly, one of them equally inhibited both 3C(pro) and 3CL(pro) from PV and CoV, respectively. Using computer modeling, the structural features of these compounds as individual and common protease inhibitors were elucidated to enhance our knowledge for developing anti-viral agents against PV and CoV.
authors.affiliation: Institute of Biological Chemistry, Academia Sinica, Taipei 11529, Taiwan, ROC.
authors.forename: Chih-Jung
authors.initials: CJ
authors.lastname: Kuo
authors.forename: Hun-Ge
authors.initials: HG
authors.lastname: Liu
authors.forename: Yueh-Kuei
authors.initials: YK
authors.lastname: Lo
authors.forename: Churl-Min
authors.initials: CM
authors.lastname: Seong
authors.forename: Kee-In
authors.initials: KI
authors.lastname: Lee
authors.forename: Young-Sik
authors.initials: YS
authors.lastname: Jung
authors.forename: Po-Huang
authors.initials: PH
authors.lastname: Liang
mesh_terms: D000595:Amino Acid Sequence; D003198:Computer Simulation; D017124:Conserved Sequence; D017934:Coronavirus / Q000187:drug effects* / Q000201:enzymology*; D004353:Drug Evaluation, Preclinical; D008958:Models, Molecular; D008969:Molecular Sequence Data; D010447:Peptide Hydrolases / Q000737:chemistry / Q000378:metabolism*; D010849:Picornaviridae / Q000187:drug effects* / Q000201:enzymology*; D011480:Protease Inhibitors / Q000737:chemistry* / Q000494:pharmacology*; D011485:Protein Binding; D017434:Protein Structure, Tertiary; D016415:Sequence Alignment; D013329:Structure-Activity Relationship
chemical_list: D011480:Protease Inhibitors; D010447:Peptide Hydrolases