Synthesis, docking studies, and evaluation of pyrimidines as inhibitors of SARS-CoV 3CL protease

R Ramajayam; Kian-Pin Tan; Hun-Ge Liu; Po-Huang Liang

doi:10.1016/j.bmcl.2010.04.118

Synthesis, docking studies, and evaluation of pyrimidines as inhibitors of SARS-CoV 3CL protease

Bioorg Med Chem Lett. 2010 Jun 15;20(12):3569-72. doi: 10.1016/j.bmcl.2010.04.118. Epub 2010 May 20.

Authors

R Ramajayam¹, Kian-Pin Tan, Hun-Ge Liu, Po-Huang Liang

Affiliation

¹ Institute of Biological Chemistry, Academia Sinica, Taipei, Taiwan.

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.

MeSH terms

Computer Simulation
Coronavirus 3C Proteases
Cysteine Endopeptidases
Inhibitory Concentration 50
Models, Molecular
Protease Inhibitors / chemical synthesis
Protease Inhibitors / pharmacology
Protein Binding
Pyrimidines / chemical synthesis*
Pyrimidines / pharmacology*
Severe acute respiratory syndrome-related coronavirus / drug effects
Severe acute respiratory syndrome-related coronavirus / enzymology
Structure-Activity Relationship
Viral Proteins / antagonists & inhibitors*

Substances

Protease Inhibitors
Pyrimidines
Viral Proteins
Cysteine Endopeptidases
Coronavirus 3C Proteases