Medicinal & Analytical Chemistry Publications
Medicinal & Analytical Chemistry Publications

Analytical Chemistry

 

  1. Guintu C, Kwok M, Hanlon JJ, Spalding TA, Wolff K, Yin H, Kuhen K, Sasher K, Calvin P, Jiang S, et al. Just in time purification: an effective solution for cherry-picking and purifying active compounds from large legacy libraries. J Biomol Screen (In Press).
  2. Ari N, Westling L, Isbell J. Cherry-picking in an orchard: unattended LC/MS analysis from an autosampler with >32,000 samples online. J Biomol Screen 2006;11(3):318-22.
  3. Isbell JJ, Zhou Y, Guintu C, Rynd M, Jiang S, Petrov D, Micklash K, Mainquist J, Ek J, Chang J, et al. Purifying the masses: integrating prepurification quality control, high-throughput LC/MS purification, and compound plating to feed high-throughput screening. J Comb Chem 2005;7(2):210-7.
  4. Yuan D, Petersen C, Rynd M, Mainquist J, Meyer A, Isbell JJ. A novel method for immediate post-purification purity determination of fractions collected during high-throughput purification. J Chromatogr 2005;1092(2):228-34.
  5. Yuan D, Uvarova V, Isbell J. Peak seeker: An algorithm for rapid determination of solubility. JALA J Assoc Lab Autom 2005;10(4):254-257.


Medicinal Chemistry

 

  1. Zhang Q, Liu Y, Gao F, Ding Q, Cho C, Hur W, Jin Y, Uno T, Joazeiro CA, Gray N. Discovery of EGFR selective 4,6-disubstituted pyrimidines from a combinatorial kinase-directed heterocycle library. J Am Chem Soc 2006;128(7):2182-3.
  2. Wu B, Kuhen K, Ngoc Nguyen T, Ellis D, Anaclerio B, He X, Yang K, Karanewsky D, Yin H, Wolff K, et al. Synthesis and evaluation of N-aryl pyrrolidinones as novel anti-HIV-1 agents. Part 1. Bioorg Med Chem Lett 2006;16(13):3430-3.
  3. Wang Z, Wu B, Kuhen KL, Bursulaya B, Nguyen TN, Nguyen DG, He Y. Synthesis and biological evaluations of sulfanyltriazoles as novel HIV-1 non-nucleoside reverse transcriptase inhibitors. Bioorg Med Chem Lett 2006;16(16):4174-7.
  4. Tully DC, Liu H, Chatterjee AK, Alper PB, Williams JA, Roberts MJ, Mutnick D, Woodmansee DH, Hollenbeck T, Gordon P, et al. Arylaminoethyl carbamates as a novel series of potent and selective cathepsin S inhibitors. Bioorg Med Chem Lett 2006;16(19):5107-11.
  5. Tully DC, Liu H, Chatterjee AK, Alper PB, Epple R, Williams JA, Roberts MJ, Woodmansee DH, Masick BT, Tumanut C, et al. Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers. Bioorg Med Chem Lett 2006;16(19):5112-7.
  6. Tully DC, Liu H, Alper PB, Chatterjee AK, Epple R, Roberts MJ, Williams JA, Nguyen KT, Woodmansee DH, Tumanut C, et al. Synthesis and evaluation of arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 3: heterocyclic P3. Bioorg Med Chem Lett 2006;16(7):1975-80.
  7. Okram B, Nagle A, Adrian FJ, Lee C, Ren P, Wang X, Sim T, Xie Y, Wang X, Xia G, et al. A general strategy for creating "inactive-conformation" abl inhibitors. Chem Biol 2006;13(7):779-86.
  8. Nagle A, Hur W, Gray NS. Antimitotic agents of natural origin. Curr Drug Targets 2006;7(3):305-26.
  9. Melnick JS, Janes J, Kim S, Chang JY, Sipes DG, Gunderson D, Jarnes L, Matzen JT, Garcia ME, Hood TL, et al. An efficient rapid system for profiling the cellular activities of molecular libraries. Proc Natl Acad Sci U S A 2006;103(9):3153-8.
  10. Liu Y, Gray NS. Rational design of inhibitors that bind to inactive kinase conformations. Nat Chem Biol 2006;2(7):358-64.
  11. Jiang T, Kuhen KL, Wolff K, Yin H, Bieza K, Caldwell J, Bursulaya B, Wu TY, He Y. Design, synthesis and biological evaluations of novel oxindoles as HIV-1 non-nucleoside reverse transcriptase inhibitors. Part I. Bioorg Med Chem Lett 2006;16(8):2105-8.
  12. Jiang T, Kuhen KL, Wolff K, Yin H, Bieza K, Caldwell J, Bursulaya B, Tuntland T, Zhang K, Karanewsky D, et al. Design, synthesis, and biological evaluations of novel oxindoles as HIV-1 non-nucleoside reverse transcriptase inhibitors. Part 2. Bioorg Med Chem Lett 2006;16(8):2109-12.
  13. Epple R, Russo R, Azimioara M, Cow C, Xie Y, Wang X, Wityak J, Karanewsky D, Gerken A, Iskandar M, et al. 3,4,5-Trisubstituted isoxazoles as novel PPARdelta agonists: Part 1. Bioorg Med Chem Lett 2006;16(16):4376-80.
  14. Epple R, Azimioara M, Russo R, Xie Y, Wang X, Cow C, Wityak J, Karanewsky D, Bursulaya B, Kreusch A, et al. 3,4,5-Trisubstituted isoxazoles as novel PPARdelta agonists. Part 2. Bioorg Med Chem Lett 2006;16(21):5488-92.
  15. Epple R, Azimioara M, Russo R, Bursulaya B, Tian SS, Gerken A, Iskandar M. 1,3,5-Trisubstituted aryls as highly selective PPARdelta agonists. Bioorg Med Chem Lett 2006;16(11):2969-73.
  16. Ellis D, Kuhen KL, Anaclerio B, Wu B, Wolff K, Yin H, Bursulaya B, Caldwell J, Karanewsky D, He Y. Design, synthesis, and biological evaluations of novel quinolones as HIV-1 non-nucleoside reverse transcriptase inhibitors. Bioorg Med Chem Lett 2006;16(16):4246-51.
  17. Choi HS, Wang Z, Richmond W, He X, Yang K, Jiang T, Sim T, Karanewsky D, Gu XJ, Zhou V, et al. Design and synthesis of 7H-pyrrolo[2,3-d]pyrimidines as focal adhesion kinase inhibitors. Part 1. Bioorg Med Chem Lett 2006;16(8):2173-6.
  18. Choi HS, Wang Z, Richmond W, He X, Yang K, Jiang T, Karanewsky D, Gu XJ, Zhou V, Liu Y, et al. Design and synthesis of 7H-pyrrolo[2,3-d]pyrimidines as focal adhesion kinase inhibitors. Part 2. Bioorg Med Chem Lett 2006;16(10):2689-92.
  19. Alper PB, Liu H, Chatterjee AK, Nguyen KT, Tully DC, Tumanut C, Li J, Harris JL, Tuntland T, Chang J, et al. Arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 2: Optimization of P1 and N-aryl. Bioorg Med Chem Lett 2006;16(6):1486-90.
  20. Adrian FJ, Ding Q, Sim T, Velentza A, Sloan C, Liu Y, Zhang G, Hur W, Ding S, Manley P, et al. Allosteric inhibitors of Bcr-abl-dependent cell proliferation. Nat Chem Biol 2006;2(2):95-102.
  21. Molteni V, Kreusch A. Peptide deformylase inhibitors: A survey of the patent literature. Expert Opin Ther Pat 2005;15(10):1423-1437.
  22. Luesch H, Wu TY, Ren P, Gray NS, Schultz PG, Supek F. A genome-wide overexpression screen in yeast for small-molecule target identification. Chem Biol 2005;12(1):55-63.
  23. Liu H, Tully DC, Epple R, Bursulaya B, Li J, Harris JL, Williams JA, Russo R, Tumanut C, Roberts MJ, et al. Design and synthesis of arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 1. Bioorg Med Chem Lett 2005;15(22):4979-84.
  24. Li J, Lim SP, Beer D, Patel V, Wen D, Tumanut C, Tully DC, Williams JA, Jiricek J, Priestle JP, et al. Functional profiling of recombinant NS3 proteases from all four serotypes of dengue virus using tetrapeptide and octapeptide substrate libraries. J Biol Chem 2005;280(31):28766-74.
  25. Kreusch A, Han S, Brinker A, Zhou V, Choi HS, He Y, Lesley SA, Caldwell J, Gu XJ. Crystal structures of human HSP90alpha-complexed with dihydroxyphenylpyrazoles. Bioorg Med Chem Lett 2005;15(5):1475-8.
  26. Han S, Zhou V, Pan S, Liu Y, Hornsby M, McMullan D, Klock HE, Haugen J, Lesley SA, Gray N, et al. Identification of coumarin derivatives as a novel class of allosteric MEK1 inhibitors. Bioorg Med Chem Lett 2005;15(24):5467-73.
  27. Wu X, Ding S, Ding Q, Gray NS, Schultz PG. Small molecules that induce cardiomyogenesis in embryonic stem cells. J Am Chem Soc 2004;126(6):1590-1.
  28. Winssinger N, Damoiseaux R, Tully DC, Geierstanger BH, Burdick K, Harris JL. PNA-encoded protease substrate microarrays. Chem Biol 2004;11(10):1351-60.
  29. Wignall SM, Gray NS, Chang YT, Juarez L, Jacob R, Burlingame A, Schultz PG, Heald R. Identification of a novel protein regulating microtubule stability through a chemical approach. Chem Biol 2004;11(1):135-46.
  30. Wan Y, Hur W, Cho CY, Liu Y, Adrian FJ, Lozach O, Bach S, Mayer T, Fabbro D, Meijer L, et al. Synthesis and target identification of hymenialdisine analogs. Chem Biol 2004;11(2):247-59.
  31. Shipway A, Danahay H, Williams JA, Tully DC, Backes BJ, Harris JL. Biochemical characterization of prostasin, a channel activating protease. Biochem Biophys Res Commun 2004;324(2):953-63.
  32. Molteni V, He X, Nabakka J, Yang K, Kreusch A, Gordon P, Bursulaya B, Warner I, Shin T, Biorac T, et al. Identification of novel potent bicyclic peptide deformylase inhibitors. Bioorg Med Chem Lett 2004;14(6):1477-81.
  33. Li B, Liu Y, Uno T, Gray N. Creating chemical diversity to target protein kinases. Comb Chem High Throughput Screen 2004;7(5):453-72.
  34. Warmuth M, Damoiseaux R, Liu Y, Fabbro D, Gray N. SRC family kinases: potential targets for the treatment of human cancer and leukemia. Curr Pharm Des 2003;9(25):2043-59.
  35. Ruetz S, Fabbro D, Zimmermann J, Meyer T, Gray N. Chemical and biological profile of dual Cdk1 and Cdk2 inhibitors. Curr Med Chem Anticancer Agents 2003;3(1):1-14.
  36. Gray NS. Optimization of experimental antimitotic agents: classical and combinatorial methods. Prog Cell Cycle Res 2003;5:135-43.
  37. Epple R, Kudirka R, Greenberg WA. Solid-phase synthesis of nucleoside analogues. J Comb Chem 2003;5(3):292-310.
  38. Ding S, Wu TY, Brinker A, Peters EC, Hur W, Gray NS, Schultz PG. Synthetic small molecules that control stem cell fate. Proc Natl Acad Sci U S A 2003;100(13):7632-7.
  39. Chao SH, Walker JR, Chanda SK, Gray NS, Caldwell JS. Identification of homeodomain proteins, PBX1 and PREP1, involved in the transcription of murine leukemia virus. Mol Cell Biol 2003;23(3):831-41.
  40. Alper PB, Nguyen KT. Practical synthesis and elaboration of methyl 7-chloroindole-4-carboxylate. J Org Chem 2003;68(5):2051-3.
  41. Wu X, Ding S, Ding Q, Gray NS, Schultz PG. A small molecule with osteogenesis-inducing activity in multipotent mesenchymal progenitor cells. J Am Chem Soc 2002;124(49):14520-1.
  42. Schang LM, Bantly A, Knockaert M, Shaheen F, Meijer L, Malim MH, Gray NS, Schaffer PA. Pharmacological cyclin-dependent kinase inhibitors inhibit replication of wild-type and drug-resistant strains of herpes simplex virus and human immunodeficiency virus type 1 by targeting cellular, not viral, proteins. J Virol 2002;76(15):7874-82.
  43. Ding S, Gray NS, Wu X, Ding Q, Schultz PG. A combinatorial scaffold approach toward kinase-directed heterocycle libraries. J Am Chem Soc 2002;124(8):1594-6.
  44. Ding S, Gray NS, Ding Q, Wu X, Schultz PG. Resin-capture and release strategy toward combinatorial libraries of 2,6,9-substituted purines. J Comb Chem 2002;4(2):183-6.
  45. Chang YT, Choi G, Bae YS, Burdett M, Moon HS, Lee JW, Gray NS, Schultz PG, Meijer L, Chung SK, et al. Purine-based inhibitors of inositol-1,4,5-trisphosphate-3-kinase. Chembiochem 2002;3(9):897-901.
  46. Wu TY, Ding S, Gray NS, Schultz PG. Solid-phase synthesis of 2,3,5-trisubstituted indoles. Org Lett 2001;3(24):3827-30.
  47. Peters EC, Horn DM, Tully DC, Brock A. A novel multifunctional labeling reagent for enhanced protein characterization with mass spectrometry. Rapid Commun Mass Spectrom 2001;15(24):2387-92.
  48. Lin Q, Jiang F, Schultz PG, Gray NS. Design of allele-specific protein methyltransferase inhibitors. J Am Chem Soc 2001;123(47):11608-13.
  49. Harris JL, Alper PB, Li J, Rechsteiner M, Backes BJ. Substrate specificity of the human proteasome. Chem Biol 2001;8(12):1131-41.
  50. Gray NS. Combinatorial libraries and biological discovery. Curr Opin Neurobiol 2001;11(5):608-14.
  51. Ding S, Gray NS, Ding Q, Schultz PG. A concise and traceless linker strategy toward combinatorial libraries of 2,6,9-substituted purines. The Journal of organic chemistry 2001;66(24):8273-6.
  52. Chang YT, Wignall SM, Rosania GR, Gray NS, Hanson SR, Su AI, Merlie J, Jr., Moon HS, Sangankar SB, Perez O, et al. Synthesis and biological evaluation of myoseverin derivatives: microtubule assembly inhibitors. J Med Chem 2001;44(26):4497-500.