2ijn: Difference between revisions

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{{STRUCTURE_2ijn|  PDB=2ijn  |  SCENE=  }}  
{{STRUCTURE_2ijn|  PDB=2ijn  |  SCENE=  }}  


'''Isothiazoles as active-site inhibitors of HCV NS5B polymerase'''
===Isothiazoles as active-site inhibitors of HCV NS5B polymerase===




==Overview==
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Isothiazole analogs were discovered as a novel class of active-site inhibitors of HCV NS5B polymerase. The best compound has an IC(50) of 200 nM and EC(50) of 100 nM, which is a significant improvement over the starting inhibitor (1). The X-ray complex structure of 1 with HCV NS5B was obtained at a resolution of 2.2A, revealing that the inhibitor is covalently linked with Cys 366 of the 'primer-grip'. Furthermore, it makes considerable contacts with the C-terminus, beta-loop, and more importantly, to the active-site of the enzyme. The uniqueness of this binding mode offers a new insight for the rational design of novel inhibitors for HCV NS5B polymerase.
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==About this Structure==
==About this Structure==
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[[Category: Rdrp]]
[[Category: Rdrp]]
[[Category: Viral rna directed rna polymerase]]
[[Category: Viral rna directed rna polymerase]]
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