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Items: 45

1.

Fragment-Based Discovery of an Apolipoprotein E4 (apoE4) Stabilizer.

Petros AM, Korepanova A, Jakob CG, Qiu W, Panchal SC, Wang J, Dietrich JD, Brewer JT, Pohlki F, Kling A, Wilcox K, Lakics V, Bahnassawy L, Reinhardt P, Partha SK, Bodelle PM, Lake M, Charych EI, Stoll VS, Sun C, Mohler EG.

J Med Chem. 2019 Apr 25;62(8):4120-4130. doi: 10.1021/acs.jmedchem.9b00178. Epub 2019 Apr 12.

PMID:
30933499
2.

Accelerating pharmaceutical structure-guided drug design: a successful model.

Keefe LJ, Stoll VS.

Drug Discov Today. 2019 Feb;24(2):377-381. doi: 10.1016/j.drudis.2018.11.008. Epub 2018 Nov 15.

PMID:
30448353
3.

Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinaseā€…A as a Structure Surrogate.

Judge RA, Vasudevan A, Scott VE, Simler GH, Pratt SD, Namovic MT, Putman CB, Aguirre A, Stoll VS, Mamo M, Swann SI, Cassar SC, Faltynek CR, Kage KL, Boyce-Rustay JM, Hobson AD.

Chembiochem. 2018 Mar 16;19(6):613-621. doi: 10.1002/cbic.201700547. Epub 2018 Jan 30.

PMID:
29314498
4.

Characterization of novel small-molecule NRF2 activators: Structural and biochemical validation of stereospecific KEAP1 binding.

Huerta C, Jiang X, Trevino I, Bender CF, Ferguson DA, Probst B, Swinger KK, Stoll VS, Thomas PJ, Dulubova I, Visnick M, Wigley WC.

Biochim Biophys Acta. 2016 Nov;1860(11 Pt A):2537-2552. doi: 10.1016/j.bbagen.2016.07.026. Epub 2016 Jul 27.

PMID:
27474998
5.

Hepatitis C NS5B polymerase inhibitors: functional equivalents for the benzothiadiazine moiety.

Hutchinson DK, Flentge CA, Donner PL, Wagner R, Maring CJ, Kati WM, Liu Y, Masse SV, Middleton T, Mo H, Montgomery D, Jiang WW, Koev G, Beno DW, Stewart KD, Stoll VS, Molla A, Kempf DJ.

Bioorg Med Chem Lett. 2011 Mar 15;21(6):1876-9. doi: 10.1016/j.bmcl.2010.12.067. Epub 2011 Jan 13.

PMID:
21316235
6.

Non-peptide entry inhibitors of HIV-1 that target the gp41 coiled coil pocket.

Stewart KD, Huth JR, Ng TI, McDaniel K, Hutchinson RN, Stoll VS, Mendoza RR, Matayoshi ED, Carrick R, Mo H, Severin J, Walter K, Richardson PL, Barrett LW, Meadows R, Anderson S, Kohlbrenner W, Maring C, Kempf DJ, Molla A, Olejniczak ET.

Bioorg Med Chem Lett. 2010 Jan 15;20(2):612-7. doi: 10.1016/j.bmcl.2009.11.076. Epub 2009 Nov 20.

PMID:
20004576
7.

Buffers: principles and practice.

Stoll VS, Blanchard JS.

Methods Enzymol. 2009;463:43-56. doi: 10.1016/S0076-6879(09)63006-8. No abstract available.

PMID:
19892166
8.

Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as potent, highly selective, and orally bioavailable inhibitors of the human protooncogene proviral insertion site in moloney murine leukemia virus (PIM) kinases.

Tao ZF, Hasvold LA, Leverson JD, Han EK, Guan R, Johnson EF, Stoll VS, Stewart KD, Stamper G, Soni N, Bouska JJ, Luo Y, Sowin TJ, Lin NH, Giranda VS, Rosenberg SH, Penning TD.

J Med Chem. 2009 Nov 12;52(21):6621-36. doi: 10.1021/jm900943h.

PMID:
19842661
9.

Hepatitis C NS5B polymerase inhibitors: 4,4-Dialkyl-1-hydroxy-3-oxo-3,4-dihydronaphthalene-3-yl benzothiadiazine derivatives.

Hutchinson DK, Rosenberg T, Klein LL, Bosse TD, Larson DP, He W, Jiang WW, Kati WM, Kohlbrenner WE, Liu Y, Masse SV, Middleton T, Molla A, Montgomery DA, Beno DW, Stewart KD, Stoll VS, Kempf DJ.

Bioorg Med Chem Lett. 2008 Jul 15;18(14):3887-90. doi: 10.1016/j.bmcl.2008.06.043. Epub 2008 Jun 18.

PMID:
18599294
10.

A potent erythropoietin-mimicking human antibody interacts through a novel binding site.

Liu Z, Stoll VS, Devries PJ, Jakob CG, Xie N, Simmer RL, Lacy SE, Egan DA, Harlan JE, Lesniewski RR, Reilly EB.

Blood. 2007 Oct 1;110(7):2408-13. Epub 2007 Jul 9.

PMID:
17620453
11.

Syntheses of potent, selective, and orally bioavailable indazole-pyridine series of protein kinase B/Akt inhibitors with reduced hypotension.

Zhu GD, Gandhi VB, Gong J, Thomas S, Woods KW, Song X, Li T, Diebold RB, Luo Y, Liu X, Guan R, Klinghofer V, Johnson EF, Bouska J, Olson A, Marsh KC, Stoll VS, Mamo M, Polakowski J, Campbell TJ, Martin RL, Gintant GA, Penning TD, Li Q, Rosenberg SH, Giranda VL.

J Med Chem. 2007 Jun 28;50(13):2990-3003. Epub 2007 May 25.

PMID:
17523610
12.

Discovery of N-(4-(3-amino-1H-indazol-4-yl)phenyl)-N'-(2-fluoro-5-methylphenyl)urea (ABT-869), a 3-aminoindazole-based orally active multitargeted receptor tyrosine kinase inhibitor.

Dai Y, Hartandi K, Ji Z, Ahmed AA, Albert DH, Bauch JL, Bouska JJ, Bousquet PF, Cunha GA, Glaser KB, Harris CM, Hickman D, Guo J, Li J, Marcotte PA, Marsh KC, Moskey MD, Martin RL, Olson AM, Osterling DJ, Pease LJ, Soni NB, Stewart KD, Stoll VS, Tapang P, Reuter DR, Davidsen SK, Michaelides MR.

J Med Chem. 2007 Apr 5;50(7):1584-97. Epub 2007 Mar 8.

PMID:
17343372
13.

Design and characterization of an engineered gp41 protein from human immunodeficiency virus-1 as a tool for drug discovery.

Stewart KD, Steffy K, Harris K, Harlan JE, Stoll VS, Huth JR, Walter KA, Gramling-Evans E, Mendoza RR, Severin JM, Richardson PL, Barrett LW, Matayoshi ED, Swift KM, Betz SF, Muchmore SW, Kempf DJ, Molla A.

J Comput Aided Mol Des. 2007 Jan-Mar;21(1-3):121-30. Epub 2007 Feb 9.

PMID:
17294246
14.

Design and synthesis of pyridine-pyrazolopyridine-based inhibitors of protein kinase B/Akt.

Zhu GD, Gong J, Gandhi VB, Woods K, Luo Y, Liu X, Guan R, Klinghofer V, Johnson EF, Stoll VS, Mamo M, Li Q, Rosenberg SH, Giranda VL.

Bioorg Med Chem. 2007 Mar 15;15(6):2441-52. Epub 2007 Jan 17.

PMID:
17258463
15.

Crystal structures of DPP-IV (CD26) from rat kidney exhibit flexible accommodation of peptidase-selective inhibitors.

Longenecker KL, Stewart KD, Madar DJ, Jakob CG, Fry EH, Wilk S, Lin CW, Ballaron SJ, Stashko MA, Lubben TH, Yong H, Pireh D, Pei Z, Basha F, Wiedeman PE, von Geldern TW, Trevillyan JM, Stoll VS.

Biochemistry. 2006 Jun 20;45(24):7474-82.

PMID:
16768443
16.

Isoquinoline-pyridine-based protein kinase B/Akt antagonists: SAR and in vivo antitumor activity.

Zhu GD, Gong J, Claiborne A, Woods KW, Gandhi VB, Thomas S, Luo Y, Liu X, Shi Y, Guan R, Magnone SR, Klinghofer V, Johnson EF, Bouska J, Shoemaker A, Oleksijew A, Stoll VS, De Jong R, Oltersdorf T, Li Q, Rosenberg SH, Giranda VL.

Bioorg Med Chem Lett. 2006 Jun 15;16(12):3150-5. Epub 2006 Apr 5.

PMID:
16603355
17.

Structure-based optimization of MurF inhibitors.

Stamper GF, Longenecker KL, Fry EH, Jakob CG, Florjancic AS, Gu YG, Anderson DD, Cooper CS, Zhang T, Clark RF, Cia Y, Black-Schaefer CL, Owen McCall J, Lerner CG, Hajduk PJ, Beutel BA, Stoll VS.

Chem Biol Drug Des. 2006 Jan;67(1):58-65.

PMID:
16492149
18.

Synthesis and structure-activity relationship of 3,4'-bispyridinylethylenes: discovery of a potent 3-isoquinolinylpyridine inhibitor of protein kinase B (PKB/Akt) for the treatment of cancer.

Li Q, Woods KW, Thomas S, Zhu GD, Packard G, Fisher J, Li T, Gong J, Dinges J, Song X, Abrams J, Luo Y, Johnson EF, Shi Y, Liu X, Klinghofer V, Des Jong R, Oltersdorf T, Stoll VS, Jakob CG, Rosenberg SH, Giranda VL.

Bioorg Med Chem Lett. 2006 Apr 1;16(7):2000-7. Epub 2006 Jan 18.

PMID:
16413780
19.

Discovery of trans-3,4'-bispyridinylethylenes as potent and novel inhibitors of protein kinase B (PKB/Akt) for the treatment of cancer: Synthesis and biological evaluation.

Li Q, Li T, Zhu GD, Gong J, Claibone A, Dalton C, Luo Y, Johnson EF, Shi Y, Liu X, Klinghofer V, Bauch JL, Marsh KC, Bouska JJ, Arries S, De Jong R, Oltersdorf T, Stoll VS, Jakob CG, Rosenberg SH, Giranda VL.

Bioorg Med Chem Lett. 2006 Mar 15;16(6):1679-85. Epub 2006 Jan 5.

PMID:
16403626
20.

Structure of MurF from Streptococcus pneumoniae co-crystallized with a small molecule inhibitor exhibits interdomain closure.

Longenecker KL, Stamper GF, Hajduk PJ, Fry EH, Jakob CG, Harlan JE, Edalji R, Bartley DM, Walter KA, Solomon LR, Holzman TF, Gu YG, Lerner CG, Beutel BA, Stoll VS.

Protein Sci. 2005 Dec;14(12):3039-47.

21.

A highly potent and selective farnesyltransferase inhibitor ABT-100 in preclinical studies.

Gu WZ, Joseph I, Wang YC, Frost D, Sullivan GM, Wang L, Lin NH, Cohen J, Stoll VS, Jakob CG, Muchmore SW, Harlan JE, Holzman T, Walten KA, Ladror US, Anderson MG, Kroeger P, Rodriguez LE, Jarvis KP, Ferguson D, Marsh K, Ng S, Rosenberg SH, Sham HL, Zhang H.

Anticancer Drugs. 2005 Nov;16(10):1059-69.

PMID:
16222147
22.

Synthesis and activity of N-acyl azacyclic urea HIV-1 protease inhibitors with high potency against multiple drug resistant viral strains.

Zhao C, Sham HL, Sun M, Stoll VS, Stewart KD, Lin S, Mo H, Vasavanonda S, Saldivar A, Park C, McDonald EJ, Marsh KC, Klein LL, Kempf DJ, Norbeck DW.

Bioorg Med Chem Lett. 2005 Dec 15;15(24):5499-503. Epub 2005 Oct 3.

PMID:
16203141
23.

Thienopyrimidine ureas as novel and potent multitargeted receptor tyrosine kinase inhibitors.

Dai Y, Guo Y, Frey RR, Ji Z, Curtin ML, Ahmed AA, Albert DH, Arnold L, Arries SS, Barlozzari T, Bauch JL, Bouska JJ, Bousquet PF, Cunha GA, Glaser KB, Guo J, Li J, Marcotte PA, Marsh KC, Moskey MD, Pease LJ, Stewart KD, Stoll VS, Tapang P, Wishart N, Davidsen SK, Michaelides MR.

J Med Chem. 2005 Sep 22;48(19):6066-83.

PMID:
16162008
24.

Potent and selective inhibitors of Akt kinases slow the progress of tumors in vivo.

Luo Y, Shoemaker AR, Liu X, Woods KW, Thomas SA, de Jong R, Han EK, Li T, Stoll VS, Powlas JA, Oleksijew A, Mitten MJ, Shi Y, Guan R, McGonigal TP, Klinghofer V, Johnson EF, Leverson JD, Bouska JJ, Mamo M, Smith RA, Gramling-Evans EE, Zinker BA, Mika AK, Nguyen PT, Oltersdorf T, Rosenberg SH, Li Q, Giranda VL.

Mol Cancer Ther. 2005 Jun;4(6):977-86.

25.

Structure-based characterization and optimization of novel hydrophobic binding interactions in a series of pyrrolidine influenza neuraminidase inhibitors.

Maring CJ, Stoll VS, Zhao C, Sun M, Krueger AC, Stewart KD, Madigan DL, Kati WM, Xu Y, Carrick RJ, Montgomery DA, Kempf-Grote A, Marsh KC, Molla A, Steffy KR, Sham HL, Laver WG, Gu YG, Kempf DJ, Kohlbrenner WE.

J Med Chem. 2005 Jun 16;48(12):3980-90.

PMID:
15943472
26.

Benzimidazolones and indoles as non-thiol farnesyltransferase inhibitors based on tipifarnib scaffold: synthesis and activity.

Li Q, Li T, Woods KW, Gu WZ, Cohen J, Stoll VS, Galicia T, Hutchins C, Frost D, Rosenberg SH, Sham HL.

Bioorg Med Chem Lett. 2005 Jun 2;15(11):2918-22. Epub 2005 Apr 21.

PMID:
15911281
27.

Oximinoarylsulfonamides as potent HIV protease inhibitors.

Yeung CM, Klein LL, Flentge CA, Randolph JT, Zhao C, Sun M, Dekhtyar T, Stoll VS, Kempf DJ.

Bioorg Med Chem Lett. 2005 May 2;15(9):2275-8.

PMID:
15837308
28.

Design, synthesis, and activity of achiral analogs of 2-quinolones and indoles as non-thiol farnesyltransferase inhibitors.

Li Q, Woods KW, Wang W, Lin NH, Claiborne A, Gu WZ, Cohen J, Stoll VS, Hutchins C, Frost D, Rosenberg SH, Sham HL.

Bioorg Med Chem Lett. 2005 Apr 15;15(8):2033-9.

PMID:
15808463
29.

Synthesis and activity of 1-aryl-1'-imidazolyl methyl ethers as non-thiol farnesyltransferase inhibitors.

Li Q, Wang GT, Li T, Gwaltney SL 2nd, Woods KW, Claiborne A, Wang X, Gu W, Cohen J, Stoll VS, Hutchins C, Frost D, Rosenberg SH, Sham HL.

Bioorg Med Chem Lett. 2004 Nov 1;14(21):5371-6.

PMID:
15454229
30.

Design, synthesis, and activity of 4-quinolone and pyridone compounds as nonthiol-containing farnesyltransferase inhibitors.

Li Q, Claiborne A, Li T, Hasvold L, Stoll VS, Muchmore S, Jakob CG, Gu W, Cohen J, Hutchins C, Frost D, Rosenberg SH, Sham HL.

Bioorg Med Chem Lett. 2004 Nov 1;14(21):5367-70.

PMID:
15454228
31.

Synthesis and antiviral activity of P1' arylsulfonamide azacyclic urea HIV protease inhibitors.

Huang PP, Randolph JT, Klein LL, Vasavanonda S, Dekhtyar T, Stoll VS, Kempf DJ.

Bioorg Med Chem Lett. 2004 Aug 2;14(15):4075-8.

PMID:
15225729
32.

Discovery of potent inhibitors of dihydroneopterin aldolase using CrystaLEAD high-throughput X-ray crystallographic screening and structure-directed lead optimization.

Sanders WJ, Nienaber VL, Lerner CG, McCall JO, Merrick SM, Swanson SJ, Harlan JE, Stoll VS, Stamper GF, Betz SF, Condroski KR, Meadows RP, Severin JM, Walter KA, Magdalinos P, Jakob CG, Wagner R, Beutel BA.

J Med Chem. 2004 Mar 25;47(7):1709-18.

PMID:
15027862
33.

Hepatitis C NS3 protease inhibition by peptidyl-alpha-ketoamide inhibitors: kinetic mechanism and structure.

Liu Y, Stoll VS, Richardson PL, Saldivar A, Klaus JL, Molla A, Kohlbrenner W, Kati WM.

Arch Biochem Biophys. 2004 Jan 15;421(2):207-16.

PMID:
14984200
34.

Design, synthesis, and biological activity of 4-[(4-cyano-2-arylbenzyloxy)-(3-methyl-3H-imidazol-4-yl)methyl]benzonitriles as potent and selective farnesyltransferase inhibitors.

Wang L, Wang GT, Wang X, Tong Y, Sullivan G, Park D, Leonard NM, Li Q, Cohen J, Gu WZ, Zhang H, Bauch JL, Jakob CG, Hutchins CW, Stoll VS, Marsh K, Rosenberg SH, Sham HL, Lin NH.

J Med Chem. 2004 Jan 29;47(3):612-26.

PMID:
14736242
35.

Characterization of protein kinase A phosphorylation: multi-technique approach to phosphate mapping.

Shen J, Smith RA, Stoll VS, Edalji R, Jakob C, Walter K, Gramling E, Dorwin S, Bartley D, Gunasekera A, Yang J, Holzman T, Johnson RW.

Anal Biochem. 2004 Jan 15;324(2):204-18.

PMID:
14690684
36.

In vitro selection and characterization of influenza A (A/N9) virus variants resistant to a novel neuraminidase inhibitor, A-315675.

Molla A, Kati W, Carrick R, Steffy K, Shi Y, Montgomery D, Gusick N, Stoll VS, Stewart KD, Ng TI, Maring C, Kempf DJ, Kohlbrenner W.

J Virol. 2002 Jun;76(11):5380-6.

37.

Novel alpha- and beta-amino acid inhibitors of influenza virus neuraminidase.

Kati WM, Montgomery D, Maring C, Stoll VS, Giranda V, Chen X, Laver WG, Kohlbrenner W, Norbeck DW.

Antimicrob Agents Chemother. 2001 Sep;45(9):2563-70.

38.
39.
40.

Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.

Stoll VS, Simpson SJ, Krauth-Siegel RL, Walsh CT, Pai EF.

Biochemistry. 1997 May 27;36(21):6437-47.

PMID:
9174360
42.
43.

Buffers: principles and practice.

Stoll VS, Blanchard JS.

Methods Enzymol. 1990;182:24-38. No abstract available.

PMID:
2314240
44.
45.

Kinetic mechanism and nucleotide specificity of NADH peroxidase.

Stoll VS, Blanchard JS.

Arch Biochem Biophys. 1988 Feb 1;260(2):752-62.

PMID:
3124762

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