2o5d: Difference between revisions
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New page: left|200px<br /><applet load="2o5d" size="350" color="white" frame="true" align="right" spinBox="true" caption="2o5d, resolution 2.20Å" /> '''Thiazolone-acylsulfo... |
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==Overview== | ==Overview== | ||
A novel series of thiazolone-acylsulfonamides were designed as HCV NS5B | 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== | ==About this Structure== | ||
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==Reference== | ==Reference== | ||
Thiazolone-acylsulfonamides as novel HCV NS5B polymerase allosteric inhibitors: | 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://ispc.weizmann.ac.il//pmbin/getpm?pmid=17276060 17276060] | ||
[[Category: Hepatitis c virus]] | [[Category: Hepatitis c virus]] | ||
[[Category: Protein complex]] | [[Category: Protein complex]] | ||
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[[Category: viral rna-directed rna polymerase]] | [[Category: viral rna-directed rna polymerase]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 18:14:37 2008'' | ||
