NIH Molecular Libraries Probe Production Centers Network (MLPCN)


Chen-Jie Fang, Lin Gui, Xiaoyi Zhang, Derek R. Moen, Kelin Li, Kevin J. Frankowski, Henry J. Lin, Frank J. Schoenen, Tsui-Fen Chou. “Evaluating p97 Inhibitor Analogues for Their Domain Selectivity and Potency against the p97–p47 Complex.” ChemMedChem., Nov 06, 2014. Online access to the article.

Elyse M. Petrunak, Natasha M. DeVore, Patrick R. Porubsky and Emily E. Scott. “Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates.” Journal of Biological Chemistry., October 9, 2014. Online access to the article.

Chad E. Schroeder, Tuanli Yao, Julie Sotsky, Robert A. Smith, Sudeshna Roy, Yong-Kyu Chu, Haixun Guo, Nichole A. Tower, James W. Noah, Sarah McKellip, Melinda Sosa, Lynn Rasmussen, Layton H. Smith, E. Lucile White, Jeffrey Aubé, Colleen B. Jonsson, Donghoon Chung, and Jennifer E. Golden. “Development of (E)-2-((1,4-dimethylpiperazin-2-ylidene)amino)-5-nitro-N-phenylbenzamide, ML336: novel 2-amidinophenylbenzamides as potent inhibitors of Venezuelan Equine Encephalitis Virus.” Journal of Medicinal Chemistry., September 22, 2014Online Access to the article.

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. Online access to the article.

Sourav MukherjeeWarren S. WeinerChad E. SchroederDenise S. SimpsonAlicia M Hanson; Noreena L SweeneyRachel K MarvinJean NdjomouRajesh KolliDragan IsailovicFrank 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. Online access to the article.

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., July 01, 2014Online access to the article.

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. Online access to the article.

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., published online before print, May 27, 2014. Online access to the article.

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., 2014, 10 (6), e1004213. Online access to the article.

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. Online access to the article.

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; PMCID: PMC3707695. Online access to the article.

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 falciparumHexokinase." Antimicrob. Agents Chemother., August 2013, 57 (8), pp 3731-3737. PMID: 23716053; PMCID: PMC3719756. Online access to the article.

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. Online access to the article.

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.Online access to the article.

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. Online access to the article.

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. Online access to the article.

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. Online access to the article.

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. Online access to the article.

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. Online access to the article.

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. Online access to the article.

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. Online access to the article.

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. Online access to the article.

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; PMCID: PMC3731742. Online access to the article.

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. Online access to the article.

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. Online access to the article.

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. Online access to the article.

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. Online access to the article.

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. Pharmaceutics2010, 7 (4), pp 1301–1310. PMID: 20557111; PMCID: PMC2916926. Online access to the article.

Wang, X.; Huan, J.; Smalter, A.; Lushington, G. H. "Application of Kernel Functions for Accurate Similarity Search in Large Chemical Databases." BMC Bioinformatics2010, Vol. 11 (Suppl 3): S8, 2010. PMID: 20438655; PMCID: PMC2863067. Online access to the article.


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