Specialized Chemistry Center Select Publications

2014
Jain, Prashi; Li, Jiaqin; Porubsky, Patrick; Neuenswander, Benjamin; Egan, Susan M.; Aube, Jeffrey; Rogers, Steven. “3-​Substituted biquinolinium inhibitors of AraC family transcriptional activator VirF from S. flexneri obtained through in situ chemical ionization of 3,​4-​disubstituted dihydroquinolines.” RSC Advances., August 18, 2014. 

Sourav Mukherjee; Warren S. Weiner; Chad E. Schroeder; Denise S. Simpson; Alicia M Hanson; Noreena L Sweeney; Rachel K Marvin; Jean Ndjomou; Rajesh Kolli; Dragan Isailovic; Frank J. Schoenen; and David N. Frick. “Ebselen Inhibits Hepatitis C Virus NS3 Helicase Binding to Nucleic Acid and Prevents Viral Replication.” ACS Chemical Biology., August 06, 2014.

Flaherty, D. P.; Simpson, D. S.; Miller, M.; Maki, B. E.; Zou, B.; Shi, J.; Wu, M.; McManus, O. B.; Aubé, J.; Li, M.; Golden, J. E. "Potent and selective inhibitors of the TASK-1 potassium channel through chemical optimization of a bis-amide scaffold." Bioorg. Med. Chem. Lett., published online before print, June 19, 2014.

Chung, D.-H.; Jonsson, C. B.; Tower, N. A.; Chu, Y.-K.; Sahin, E.; Golden, J. E.; Noah, J. W.; Schroeder, C. E.; Sotsky, J. B.; Sosa, M. I.; Cramer, D. E.; McKellip, S. N.; Rasmussen, L.; White, E. L.; Schmaljohn, C. S.; Julander, J. G.; Smith, J. M.; Filone, C. M.; Connor, J. H.; Sakurai, Y.; Davey, R. A. "Discovery of a Novel Compound with Anti-Venezuelan Equine Encephalitis Virus Activity That Targets the Nonstructural Protein 2." PLoS Pathog., June 26, 2014, 10 (6), e1004213. 

Chou, T.-F.; Bulfer, S. L.; Weihl, C. C.; Li, K.; Lis, L. G.; Walters, M. A.; Schoenen, F. J.; Lin, H. J.; Deshaies, R. J.; Arkin, M. R. "Specific Inhibition of p97/VCP ATPase and Kinetic Analysis Demonstrate Interaction between D1 and D2 ATPase domains." J. Mol. Biol., accepted.

Goller, C. C.; Arshad, M.; Noah, J. W.; Ananthan, S.; Evans, C. W.; Nebane, N. M.; Rasmussen, L.; Sosa, M.; Tower, N. A.; White, E. L.; Neuenswander, B.; Porubsky, P.; Maki, B. E.; Rogers, S. A.; Schoenen, F. J.; Seed, P. C. “Lifting the Mask: Identification of New Small Molecule Inhibitors of Uropathogenic Escherichia coli Group 2 Capsule Biogenesis.” PLoS One, accepted.

Tower, N. A.; Sotsky, J.; Sahin, E.; White, E. L.; Noah, J. W.; McKellip, S.; Rasmussen, L.; Sosa, M. I.; Schroeder, C. E.; Golden, J. E.; Cramer, D. E.; Chu, Y.-K.; Jonsson, C., Schmaljohn, C. S.; Chung, D.-H. "Discovery of a Novel Compound with Anti-Venezuelan Equine Encephalitis Virus Activity That Targets the Nonstructural Protein 2." PLoS Pathog., accepted with revision.

Spicer, T.; Fernandez-Vega, V.; Chase, P.; Scampavia, L.; To, J.; Dalton, J. P.; Da Silva, F. L.; Skinner-Adams, T. S.; Gardiner, D. L.; Trenholme, K. R.; Brown, C. L.; Ghosh, P.; Porubsky, P.; Wang, J. L.; Whipple, D. A.; Schoenen, F. J.; Hodder, P. “Identification of Potent and Selective Inhibitors of the Plasmodium falciparum M18 Aspartyl Aminopeptidase (PfM18AAP) of Human Malaria via High Throughput Screening.” J. Biomol. Screen., published online before print, March 11, 2014. PMID: 24619116. 

2013
Sweeney, N. L.; Shadrick, W. R.; Mukherjee, S.; Li, K.; Frankowski, K. J.; Schoenen, F. J.; Frick, D. N. "Primuline Derivatives That Mimic RNA To Stimulate Hepatitis C Virus NS3 Helicase-Catalyzed ATP Hydrolysis." J. Biol. Chem., 2013, 288, pp 19949-19957. PMID: 23703611.

Harris, M.; Walker, D.; Drew, M.; Mitchell, W.; Dao, K.; Schroeder, C.; Flaherty, D.; Weiner, W.; Golden, J.; Morris, J. "Interrogating a Hexokinase-Selected Small Molecule Library for Inhibitors of Plasmodium falciparum Hexokinase." Antimicrob. Agents Chemother., 2013 May 28 [Epub ahead of print]. PMID: 23716053.

Coombs, T. C.; Tanega, C.; Shen, M.; Wang, J. L.; Auld, D. S.; Gerritz, S. W.; Schoenen, F. J.; Thomas, C. J.; Aubé, J. "Small-molecule pyrimidine inhibitors of the cdc2-like (Clk) and dual specificity tyrosine phosphorylation-regulated (Dyrk) kinases: Development of chemical probe ML315." Bioorg. Med. Chem. Lett.,2013, 23 (12), pp 3654-3661. PMID: 23642479; PMCID: PMC3664191.

Hong, L.; Kenney, S. K.; Philips, G. K.; Simpson, D.; Schroeder, C. E.; Nöth, J.; Romero, E.; Swanson, S.; Waller, A.; Strouse, J. J.; Carter, M.; Chigaev, A.; Ursu, O.; Oprea, T.; Hjelle, B.; Golden, J. E.; Aubé, J.; Hudson, L. G.; Buranda, T.; Sklar, L. A.; Wandinger-Ness, A. "Characterization of a Cdc42 GTPase Inhibitor and its Use as a Molecular Probe." J. Biol. Chem., 2013 Mar 22, 288 (12), pp 8531-8543. PMID: 23382385; PMCID: PMC3605667.

Chou, T.-F.; Li, K.; Frankowski, K. J.; Schoenen, F. J.; Deshaies, R. J. "Structure-Activity Relationship Study Reveals ML240 and ML241 as Potent and Selective Inhibitors of p97 ATPase." ChemMedChem, February 2013, 8 (2), pp 297-312. PMID: 23316025; PMCID: PMC3662613.

Chung, D. H.; Moore, B. P.; Matharu, D. S.; Golden, J. E.; Maddox, C.; Rasmussen, L.; Sosa, M. I.; Ananthan, S.; White, E. L.; Jia, F.; Jonsson, C. B.; Severson, W. E. "A cell based high-throughput screening approach for the discovery of new inhibitors of respiratory syncytial virus." Virol. J., 2013, 10 (1):19. PMID: 23302182; PMCID: PMC3621174.

Strouse, J. J.; Ivnitski-Steele, I.; Khawaja, H. M.; Perez, D.; Ricci, J.; Yao, T.; Weiner, W. S.; Schroeder, C. E.; Simpson, D. S.; Maki, B. E.; Li, K.; Golden, J. E.; Foutz, T. D.; Waller, A.; Evangelisti, A. M.; Young, S. M.; Chavez, S. E.; Garcia, M. J.; Ursu, O.; Bologa, C. G.; Carter, M. B.; Salas, V. M.; Gouveia, K.; Tegos, G. P.; Oprea, T. I.; Edwards, B. S.; Aubé, J.; Larson, R. S.; Sklar, L. A. "A Selective ATP-Binding Cassette Subfamily G Member 2 Efflux Inhibitor Revealed via High-Throughput Flow Cytometry." J. Biomol. Screen., 2013 Jan, 18 (1), pp 26-38. PMID: 22923785; PMCID: PMC3623016. 

2012
Moore, B. P.; Chung, D. H.; Matharu, D. S.; Golden, J. E.; Maddox, C.; Rasmussen, L.; Noah, J. W.; Sosa, M. I.; Ananthan, S.; Tower, N. A.; White, E. L.; Jia, F.; Prisinzano. T. E.; Aubé, J.; Jonsson, C. B.; Severson, W. E. "(S)-N-(2,5-Dimethylphenyl)-1-(quinoline-8-ylsulfonyl)pyrrolidine-2-carboxamide as a Small Molecule Inhibitor Probe for the Study of Respiratory Syncytial Virus Infection." J. Med. Chem., 2012, 55 (20), pp 8582-8587. PMID: 23043370; PMCID: PMC3506029.

Ndjomou, J.; Kolli, R.; Mukherjee, S.; Shadrick, W. R.; Hanson, A. M.; Sweeney, N. L.; Bartczak, D.; Li, K.; Frankowski, K. J.; Schoenen, F. J.; Frick, D. N. "Fluorescent Primuline Derivatives Inhibit Hepatitis C Virus NS3-Catalyzed RNA Unwinding, Peptide Hydrolysis and Viral Replicase Formation." Antiviral Res., 2012, 96 (2), pp 245-255. PMID: 22940425; PMCID: PMC3571690. 

Mukherjee, S.; Hanson, A. M.; Shadrick, W. R.; Ndjomou, J.; Sweeney, N. L.; Hernandez, J. J.; Bartczak, D.; Li, K.; Frankowski, K. J.; Heck, J. A.; Arnold, L. A.; Schoenen, F. J.; Frick, D. N. "Identification and Analysis of Hepatitis C Virus NS3 Helicase Inhibitors Using Nucleic Acid Binding Assays." Nucleic Acids Res., 2012, 40 (17), pp 8607-8621. PMID: 22740655; PMCID: PMC3458564. 

Agola, J. O.; Hong, L.; Surviladze, Z.; Ursu, O.; Waller, A.; Strouse, J. J.; Simpson, D. S.; Schroeder, C. E.; Oprea, T. I.; Golden, J. E.; Aubé, J.; Buranda, T.; Sklar, L. A.; Wandinger-Ness, A. "A Competitive Nucleotide Binding Inhibitor: In vitro Characterization of Rab7 GTPase Inhibition." ACS Chem. Biol., 2012, 7 (6), pp 1095–1108. PMID: 22486388; PMCID: PMC3440014. 

Li, K.; Frankowski, K. J.; Belon, C. A.; Neuenswander, B.; Ndjomou, J.; Hanson, A. M.; Shanahan, M. A.; Schoenen, F. J.; Blagg, B. S. J.; Aubé, J.; Frick, D. N. "Optimization of Potent Hepatitis C Virus NS3 Helicase Inhibitors Isolated from the Yellow Dyes Thioflavine S and Primuline." J. Med. Chem., 2012, 55 (7), pp 3319–3330. PMID: 22409723; PMCID: PMC3476947.

Seguin, S.; Evans, C. W.; Nebane-Akah, M.; McKellip, S.; Ananthan, S.; Tower, N. A.; Sosa, M.; Rasmussen, L.; White, E. L.; Maki, B. E.; Matharu, D. S.; Golden, J. E.; Aubé, J.; Brodsky, J. L.; Noah, J. W. "High-throughput Screening Identifies A Bisphenol Inhibitor of SV40 Large T-Antigen ATPase Activity." J. Biomol. Screen., 2012 Feb; 17 (2): 194–203. PMID: 21948801. 

Frankowski, K. J.; Hedrick, M. P.; Gosalia, P.; Li, K.; Shi, S.; Whipple, D.; Ghosh, P.; Prisinzano, T. E.; Schoenen, F. J.; Su, Y.; Vasile, S.; Sergienko, E.; Gray, W.; Hariharan, S.; Milan, L.; Heynen-Genel, S.; Mangravita-Novo, A.; Vicchiarelli, M.; Smith, L. H.; Streicher, J. M.; Caron, M. G.; Barak, L. S.; Bohn, L. M.; Chung, T. D. Y.; Aubé, J. "Discovery of Small Molecule Kappa Opioid Receptor Agonist and Antagonist Chemotypes through a HTS and Hit Refinement Strategy." ACS Chem. Neurosci., 2012, 3 (3), pp 221–236. PMID: 22737280; PMCID: PMC3378255.

Chen, J.; Young, S. M.; Allen, C.; Seeber, A.; Péli-Gulli, M-P.; Panchaud, N.; Waller, A.; Ursu, O.; Yao, T.; Golden, J. E.; Strouse, J. J.; Carter, M. B.; Kang, H.; Bologa, C. G.; Foutz, T. D.; Edwards, B. S.; Peterson, B. R.; Aubé, J.; Werner-Washburne, M.; Loewith, R. J.; De Virgilio, C.; Sklar, L. A. "Identification of a Small Molecule Yeast TORC1 Inhibitor with a Multiplex Screen Based on Flow Cytometry." ACS Chem. Biol., 2012, 7 (4), pp 715–722. PMID: 22260433; PMCID: PMC3331904.

2011
Zhang, J.; Lushington, G. H.; Huan, J. "Characterizing the Diversity and Biological Relevance of the MLPCN Assay Manifold and Screening Set." J. Chem. Inf. Model., 2011, 51 (6), pp 1205–1215. PMID: 21568288; PMCID: PMC3152445.

Chou, T.-F.; Brown, S. J.; Minond, D.; Nordin, B. E.; Li, K.; Jones, A. C.; Chase, P.; Porubsky, P.; Stoltz, B. M.; Schoenen, F. J.; Patricelli, M. P.; Hodder, P.; Rosen, H.; Deshaies, R. J. "A reversible inhibitor of the AAA ATPase p97, DBeQ, impairs both ubiquitin-dependent and autophagic protein clearance pathways." Proc. Natl. Acad. Sci. U. S. A., 2011, 108 (12), pp 4834–4839. PMID: 21383145; PMCID: PMC3064330. 

2010
Cunningham, C. W.; Mukhopadhyay, A.; Lushington, G. H.; Blagg, B. S. J.; Prisinzano, T. E.; Krise, J. P. "Uptake, Distribution and Diffusivity of Reactive Fluorophores in Cells: Implications toward Target Identification." Mol. Pharmaceutics, 2010, 7 (4), pp 1301–1310. PMID: 20557111; PMCID: PMC2916926.

Wang, X.; Huan, J.; Smalter, A.; Lushington, G. H. "Application of Kernel Functions for Accurate Similarity Search in Large Chemical Databases." BMC Bioinformatics, 2010, Vol. 11 (Suppl 3): S8, 2010. PMID: 20438655; PMCID: PMC2863067.


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EVENTS
Ability to set up 24 NMR experiments at one time and eliminate periodic user intervention
Screen up to 100,000 compounds in two days for endpoint assays
Next-generation genome sequencing
Near-infrared and bioluminescence imaging instrumentation to track gene of interest and/or tumor growth
Expertise in the design and stability of various pharmaceutical dosage forms
More than 40 computational chemistry software programs and databases
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