2o5d
From Proteopedia
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[[Image:2o5d.jpg|left|200px]] | [[Image:2o5d.jpg|left|200px]] | ||
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| - | | | + | {{STRUCTURE_2o5d| PDB=2o5d | SCENE= }} |
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'''Thiazolone-acylsulfonamides as novel HCV NS5B polymerase allosteric inhibitors: Convergence of structure-based drug design and X-ray crystallographic study''' | '''Thiazolone-acylsulfonamides as novel HCV NS5B polymerase allosteric inhibitors: Convergence of structure-based drug design and X-ray crystallographic study''' | ||
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==About this Structure== | ==About this Structure== | ||
| - | + | Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2O5D OCA]. | |
==Reference== | ==Reference== | ||
Thiazolone-acylsulfonamides as novel HCV NS5B polymerase allosteric inhibitors: convergence of structure-based drug design and X-ray crystallographic study., Yan S, Appleby T, Larson G, Wu JZ, Hamatake RK, Hong Z, Yao N, Bioorg Med Chem Lett. 2007 Apr 1;17(7):1991-5. Epub 2007 Jan 19. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17276060 17276060] | Thiazolone-acylsulfonamides as novel HCV NS5B polymerase allosteric inhibitors: convergence of structure-based drug design and X-ray crystallographic study., Yan S, Appleby T, Larson G, Wu JZ, Hamatake RK, Hong Z, Yao N, Bioorg Med Chem Lett. 2007 Apr 1;17(7):1991-5. Epub 2007 Jan 19. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17276060 17276060] | ||
| - | [[Category: Hepatitis c virus]] | ||
| - | [[Category: Protein complex]] | ||
[[Category: RNA-directed RNA polymerase]] | [[Category: RNA-directed RNA polymerase]] | ||
[[Category: Yao, N.]] | [[Category: Yao, N.]] | ||
| - | [[Category: | + | [[Category: Allosteric inhibitor]] |
| - | [[Category: | + | [[Category: Hcv]] |
| - | [[Category: | + | [[Category: Hcv inhibitor complex]] |
| - | [[Category: | + | [[Category: Ns5b]] |
| - | [[Category: | + | [[Category: Rdrp]] |
| - | [[Category: | + | [[Category: Structure-based drug design]] |
| - | [[Category: | + | [[Category: Viral rna-directed rna polymerase]] |
| - | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 10:20:54 2008'' | |
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | |
Revision as of 07:20, 4 May 2008
Thiazolone-acylsulfonamides as novel HCV NS5B polymerase allosteric inhibitors: Convergence of structure-based drug design and X-ray crystallographic study
Overview
A novel series of thiazolone-acylsulfonamides were designed as HCV NS5B polymerase allosteric inhibitors. The structure based drug designs (SBDD) were guided by docking results that revealed the potential to explore an additional pocket in the allosteric site. In particular, the designed molecules contain moieties of previously described thiazolone and a newly designed acylsulfonamide linker that is in turn connected with a substituted aromatic ring. The selected compounds were synthesized and demonstrated low muM activity. The X-ray complex structure was determined at a 2.2A resolution and converged with the SBDD principle.
About this Structure
Full crystallographic information is available from OCA.
Reference
Thiazolone-acylsulfonamides as novel HCV NS5B polymerase allosteric inhibitors: convergence of structure-based drug design and X-ray crystallographic study., Yan S, Appleby T, Larson G, Wu JZ, Hamatake RK, Hong Z, Yao N, Bioorg Med Chem Lett. 2007 Apr 1;17(7):1991-5. Epub 2007 Jan 19. PMID:17276060 Page seeded by OCA on Sun May 4 10:20:54 2008
