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2ijn

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{{STRUCTURE_2ijn| PDB=2ijn | SCENE= }}
{{STRUCTURE_2ijn| PDB=2ijn | SCENE= }}
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'''Isothiazoles as active-site inhibitors of HCV NS5B polymerase'''
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===Isothiazoles as active-site inhibitors of HCV NS5B polymerase===
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==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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(as it appears on PubMed at http://www.pubmed.gov), where 17049853 is the PubMed ID number.
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{{ABSTRACT_PUBMED_17049853}}
==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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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 07:34:51 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 14:08:48 2008''

Revision as of 11:08, 28 July 2008

Image:2ijn.png

Template:STRUCTURE 2ijn

Isothiazoles as active-site inhibitors of HCV NS5B polymerase

Template:ABSTRACT PUBMED 17049853

About this Structure

2IJN is a Single protein structure of sequence from Hepatitis c virus subtype 1b. Full crystallographic information is available from OCA.

Reference

Isothiazoles as active-site inhibitors of HCV NS5B polymerase., Yan S, Appleby T, Gunic E, Shim JH, Tasu T, Kim H, Rong F, Chen H, Hamatake R, Wu JZ, Hong Z, Yao N, Bioorg Med Chem Lett. 2007 Jan 1;17(1):28-33. Epub 2006 Oct 5. PMID:17049853

Page seeded by OCA on Mon Jul 28 14:08:48 2008

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