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Items: 1 to 20 of 104

1.

Small molecule regulation of protein conformation by binding in the Flap of HIV protease.

Tiefenbrunn T, Forli S, Baksh MM, Chang MW, Happer M, Lin YC, Perryman AL, Rhee JK, Torbett BE, Olson AJ, Elder JH, Finn MG, Stout CD.

ACS Chem Biol. 2013;8(6):1223-31. doi: 10.1021/cb300611p. Epub 2013 Mar 29.

2.
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Fragment-based screen against HIV protease.

Perryman AL, Zhang Q, Soutter HH, Rosenfeld R, McRee DE, Olson AJ, Elder JE, Stout CD.

Chem Biol Drug Des. 2010 Mar;75(3):257-68. doi: 10.1111/j.1747-0285.2009.00943.x. Epub 2010 Jan 19.

4.

Identifying the molecular mechanics and binding dynamics characteristics of potent inhibitors to HIV-1 protease.

Li D, Liu MS, Ji B, Hwang KC, Huang Y.

Chem Biol Drug Des. 2012 Sep;80(3):440-54. doi: 10.1111/j.1747-0285.2012.01417.x. Epub 2012 Jun 27.

PMID:
22621379
5.

New active HIV-1 protease inhibitors derived from 3-hexanol: conformation study of the free inhibitors in crystalline state and in complex with the enzyme.

Ziółkowska NE, Bujacz A, Randad RS, Erickson JW, Skálová T, Hašek J, Bujacz G.

Chem Biol Drug Des. 2012 May;79(5):798-809. doi: 10.1111/j.1747-0285.2012.01328.x. Epub 2012 Mar 7.

PMID:
22296826
6.
7.

Mechanism of drug resistance revealed by the crystal structure of the unliganded HIV-1 protease with F53L mutation.

Liu F, Kovalevsky AY, Louis JM, Boross PI, Wang YF, Harrison RW, Weber IT.

J Mol Biol. 2006 May 19;358(5):1191-9. Epub 2006 Mar 20.

PMID:
16569415
8.

Enamino-oxindole HIV protease inhibitors.

Eissenstat M, Guerassina T, Gulnik S, Afonina E, Silva AM, Ludtke D, Yokoe H, Yu B, Erickson J.

Bioorg Med Chem Lett. 2012 Aug 1;22(15):5078-83. doi: 10.1016/j.bmcl.2012.05.120. Epub 2012 Jun 7.

PMID:
22749283
9.

Binding of single walled carbon nanotube to WT and mutant HIV-1 proteases: analysis of flap dynamics and binding mechanism.

Meher BR, Wang Y.

J Mol Graph Model. 2012 Sep;38:430-45. doi: 10.1016/j.jmgm.2012.10.001. Epub 2012 Oct 13.

10.

Solution structure of HIV-1 protease flaps probed by comparison of molecular dynamics simulation ensembles and EPR experiments.

Ding F, Layten M, Simmerling C.

J Am Chem Soc. 2008 Jun 11;130(23):7184-5. doi: 10.1021/ja800893d. Epub 2008 May 15.

11.

Computational analysis of HIV-1 protease protein binding pockets.

Ko GM, Reddy AS, Kumar S, Bailey BA, Garg R.

J Chem Inf Model. 2010 Oct 25;50(10):1759-71. doi: 10.1021/ci100200u.

12.

Structural insights into the South African HIV-1 subtype C protease: impact of hinge region dynamics and flap flexibility in drug resistance.

Naicker P, Achilonu I, Fanucchi S, Fernandes M, Ibrahim MA, Dirr HW, Soliman ME, Sayed Y.

J Biomol Struct Dyn. 2013 Dec;31(12):1370-80. doi: 10.1080/07391102.2012.736774. Epub 2012 Nov 12.

PMID:
23140382
13.

Crystal structures of a multidrug-resistant human immunodeficiency virus type 1 protease reveal an expanded active-site cavity.

Logsdon BC, Vickrey JF, Martin P, Proteasa G, Koepke JI, Terlecky SR, Wawrzak Z, Winters MA, Merigan TC, Kovari LC.

J Virol. 2004 Mar;78(6):3123-32.

14.

Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds.

Yedidi RS, Liu Z, Wang Y, Brunzelle JS, Kovari IA, Woster PM, Kovari LC, Gupta D.

Biochem Biophys Res Commun. 2012 May 11;421(3):413-7. doi: 10.1016/j.bbrc.2012.03.096. Epub 2012 Mar 24.

15.

Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters.

Shen CH, Wang YF, Kovalevsky AY, Harrison RW, Weber IT.

FEBS J. 2010 Sep;277(18):3699-714. doi: 10.1111/j.1742-4658.2010.07771.x. Epub 2010 Aug 2.

16.

Active site binding modes of curcumin in HIV-1 protease and integrase.

Vajragupta O, Boonchoong P, Morris GM, Olson AJ.

Bioorg Med Chem Lett. 2005 Jul 15;15(14):3364-8.

PMID:
15950462
17.
18.

Structure-aided design of novel inhibitors of HIV protease based on a benzodiazepine scaffold.

Schimer J, Cígler P, Veselý J, Grantz Šašková K, Lepšík M, Brynda J, Rezáčová P, Kožíšek M, Císařová I, Oberwinkler H, Kraeusslich HG, Konvalinka J.

J Med Chem. 2012 Nov 26;55(22):10130-5. doi: 10.1021/jm301249q. Epub 2012 Oct 23.

PMID:
23050738
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