1jld: Difference between revisions
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[[Image:1jld.gif|left|200px]] | [[Image:1jld.gif|left|200px]] | ||
'''POTENT HIV PROTEASE INHIBITORS CONTAINING A NOVEL (HYDROXYETHYL)AMIDE ISOSTERE''' | {{Structure | ||
|PDB= 1jld |SIZE=350|CAPTION= <scene name='initialview01'>1jld</scene>, resolution 2.5Å | |||
|SITE= | |||
|LIGAND= <scene name='pdbligand=QNC:2-CARBONYLQUINOLINE'>QNC</scene> | |||
|ACTIVITY= [http://en.wikipedia.org/wiki/HIV-1_retropepsin HIV-1 retropepsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.16 3.4.23.16] | |||
|GENE= | |||
}} | |||
'''POTENT HIV PROTEASE INHIBITORS CONTAINING A NOVEL (HYDROXYETHYL)AMIDE ISOSTERE''' | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
1JLD is a [ | 1JLD is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Human_immunodeficiency_virus_1 Human immunodeficiency virus 1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1JLD OCA]. | ||
==Reference== | ==Reference== | ||
Potent HIV protease inhibitors containing a novel (hydroxyethyl)amide isostere., Beaulieu PL, Wernic D, Abraham A, Anderson PC, Bogri T, Bousquet Y, Croteau G, Guse I, Lamarre D, Liard F, Paris W, Thibeault D, Pav S, Tong L, J Med Chem. 1997 Jul 4;40(14):2164-76. PMID:[http:// | Potent HIV protease inhibitors containing a novel (hydroxyethyl)amide isostere., Beaulieu PL, Wernic D, Abraham A, Anderson PC, Bogri T, Bousquet Y, Croteau G, Guse I, Lamarre D, Liard F, Paris W, Thibeault D, Pav S, Tong L, J Med Chem. 1997 Jul 4;40(14):2164-76. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/9216835 9216835] | ||
[[Category: HIV-1 retropepsin]] | [[Category: HIV-1 retropepsin]] | ||
[[Category: Human immunodeficiency virus 1]] | [[Category: Human immunodeficiency virus 1]] | ||
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[[Category: Tong, L.]] | [[Category: Tong, L.]] | ||
[[Category: QNC]] | [[Category: QNC]] | ||
[[Category: complex (protease/inhibitor) | [[Category: complex (protease/inhibitor) aid]] | ||
[[Category: hiv-2 protease]] | [[Category: hiv-2 protease]] | ||
[[Category: polyprotein]] | [[Category: polyprotein]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 12:05:02 2008'' | ||
Revision as of 13:05, 20 March 2008
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| , resolution 2.5Å | |||||||
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| Ligands: | |||||||
| Activity: | HIV-1 retropepsin, with EC number 3.4.23.16 | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
POTENT HIV PROTEASE INHIBITORS CONTAINING A NOVEL (HYDROXYETHYL)AMIDE ISOSTERE
OverviewOverview
A series of HIV protease inhibitors containing a novel (hydroxyethyl)amidosuccinoyl core has been synthesized. These peptidomimetic structures inhibit viral protease activity at low nanomolar concentrations (IC50 < 10 nM for HIV-1 protease). The inhibition constant (Ki) for inhibitor 19 was determined to be 7.5 pM against HIV-1 and 1.2 nM against HIV-2 proteases, respectively. Several compounds (19-24) inhibited HIV-1 replication in cell culture assays with 50% effective concentrations (EC50) = 3.7-35 nM. This series of inhibitors was found to exhibit poor bioavailability (< 10%) in the rat, following oral administration. The synthesis and biological properties of these compounds are discussed. In addition, an X-ray structure of one of these inhibitors (23) in complex with HIV-2 protease provides insight into the binding mode of this novel class of HIV protease inhibitors.
About this StructureAbout this Structure
1JLD is a Single protein structure of sequence from Human immunodeficiency virus 1. Full crystallographic information is available from OCA.
ReferenceReference
Potent HIV protease inhibitors containing a novel (hydroxyethyl)amide isostere., Beaulieu PL, Wernic D, Abraham A, Anderson PC, Bogri T, Bousquet Y, Croteau G, Guse I, Lamarre D, Liard F, Paris W, Thibeault D, Pav S, Tong L, J Med Chem. 1997 Jul 4;40(14):2164-76. PMID:9216835
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