title: Synthesis, docking studies, and evaluation of pyrimidines as inhibitors of SARS-CoV 3CL protease.
abstract: A series of 2-(benzylthio)-6-oxo-4-phenyl-1,6-dihydropyrimidine as SARS-CoV 3CL protease inhibitors were developed and their potency was evaluated by in vitro protease inhibitory assays. Two candidates had encouraging results for the development of new anti-SARS compounds.
authors.affiliation: Institute of Biological Chemistry, Academia Sinica, Taipei, Taiwan.
authors.forename: R
authors.initials: R
authors.lastname: Ramajayam
authors.forename: Kian-Pin
authors.initials: KP
authors.lastname: Tan
authors.forename: Hun-Ge
authors.initials: HG
authors.lastname: Liu
authors.forename: Po-Huang
authors.initials: PH
authors.lastname: Liang
mesh_terms: D003198:Computer Simulation; D000086782:Coronavirus 3C Proteases; D003546:Cysteine Endopeptidases; D020128:Inhibitory Concentration 50; D008958:Models, Molecular; D011480:Protease Inhibitors / Q000138:chemical synthesis / Q000494:pharmacology; D011485:Protein Binding; D011743:Pyrimidines / Q000138:chemical synthesis* / Q000494:pharmacology*; D045473:Severe acute respiratory syndrome-related coronavirus / Q000187:drug effects / Q000201:enzymology; D013329:Structure-Activity Relationship; D014764:Viral Proteins / Q000037:antagonists & inhibitors*
chemical_list: D011480:Protease Inhibitors; D011743:Pyrimidines; D014764:Viral Proteins; D003546:Cysteine Endopeptidases; D000086782:Coronavirus 3C Proteases