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2a4q
From Proteopedia
(New page: 200px<br /><applet load="2a4q" size="350" color="white" frame="true" align="right" spinBox="true" caption="2a4q, resolution 2.45Å" /> '''HCV NS3 protease wit...) |
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==Overview== | ==Overview== | ||
| - | The 17-membered phenylalanine-based macrocycle 6 was prepared starting | + | The 17-membered phenylalanine-based macrocycle 6 was prepared starting from 3-iodo-phenylalanine. Macrocyclization of alkene phenyl iodide 5 was effected through a palladium-catalyzed Heck reaction. The macrocyclic alpha-ketoamides were active inhibitors of the HCV NS3 protease, with the C-terminal acids and amides being more potent than tert-butyl esters. |
==About this Structure== | ==About this Structure== | ||
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[[Category: Hepatitis c virus]] | [[Category: Hepatitis c virus]] | ||
[[Category: Protein complex]] | [[Category: Protein complex]] | ||
| - | [[Category: Chen, K | + | [[Category: Chen, K X.]] |
[[Category: Girijavallabhan, V.]] | [[Category: Girijavallabhan, V.]] | ||
[[Category: Madison, V.]] | [[Category: Madison, V.]] | ||
| - | [[Category: Njoroge, F | + | [[Category: Njoroge, F G.]] |
[[Category: Pichardo, J.]] | [[Category: Pichardo, J.]] | ||
[[Category: Prongay, A.]] | [[Category: Prongay, A.]] | ||
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[[Category: virus/viral protein]] | [[Category: virus/viral protein]] | ||
| - | ''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 16:23:34 2008'' |
Revision as of 14:23, 21 February 2008
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HCV NS3 protease with NS4a peptide and a covalently bound macrocyclic ketoamide compound.
Overview
The 17-membered phenylalanine-based macrocycle 6 was prepared starting from 3-iodo-phenylalanine. Macrocyclization of alkene phenyl iodide 5 was effected through a palladium-catalyzed Heck reaction. The macrocyclic alpha-ketoamides were active inhibitors of the HCV NS3 protease, with the C-terminal acids and amides being more potent than tert-butyl esters.
About this Structure
2A4Q is a Protein complex structure of sequences from Hepatitis c virus with , and as ligands. Full crystallographic information is available from OCA.
Reference
Synthesis and biological activity of macrocyclic inhibitors of hepatitis C virus (HCV) NS3 protease., Chen KX, Njoroge FG, Prongay A, Pichardo J, Madison V, Girijavallabhan V, Bioorg Med Chem Lett. 2005 Oct 15;15(20):4475-8. PMID:16112859
Page seeded by OCA on Thu Feb 21 16:23:34 2008
