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Small molecules

Tool Compounds Robustly Increase Turnover of an Artificial Substrate by Glucocerebrosidase in Human Brain Lysates

Zdenek Berger, Sarah Perkins, Claude Ambroise, Christine Oborski, Matthew Calabrese, Stephen Noell, David Riddell, Warren D. Hirst

published 12 Mar 2015

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SD-208, a Novel Protein Kinase D Inhibitor, Blocks Prostate Cancer Cell Proliferation and Tumor Growth In Vivo by Inducing G2/M Cell Cycle Arrest

Manuj Tandon, Joseph M. Salamoun, Evan J. Carder, Elisa Farber, Shuping Xu, Fan Deng, Hua Tang, Peter Wipf, Q. Jane Wang

published 06 Mar 2015

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Identification of Potential Small Molecule Allosteric Modulator Sites on IL-1R1 Ectodomain Using Accelerated Conformational Sampling Method

Chao-Yie Yang

published 23 Feb 2015

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Global Analysis Reveals Families of Chemical Motifs Enriched for hERG Inhibitors

Fang Du, Joseph J. Babcock, Haibo Yu, Beiyan Zou, Min Li

published 20 Feb 2015

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UFSRAT: Ultra-Fast Shape Recognition with Atom Types –The Discovery of Novel Bioactive Small Molecular Scaffolds for FKBP12 and 11βHSD1

Steven Shave, Elizabeth A. Blackburn, Jillian Adie, Douglas R. Houston, Manfred Auer, Scott P. Webster, Paul Taylor, Malcolm D. Walkinshaw

published 06 Feb 2015

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Modeling Nociception in Zebrafish: A Way Forward for Unbiased Analgesic Discovery

Andrew Curtright, Micaela Rosser, Shamii Goh, Bailey Keown, Erinn Wagner, Jasmine Sharifi, David W. Raible, Ajay Dhaka

published 14 Jan 2015

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Novel Anti-Nicotine Vaccine Using a Trimeric Coiled-Coil Hapten Carrier

Keith D. Miller, Richard Roque, Christopher H. Clegg

published 10 Dec 2014

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A Novel CMKLR1 Small Molecule Antagonist Suppresses CNS Autoimmune Inflammatory Disease

Kareem L. Graham, Jian V. Zhang, Susanna Lewén, Thomas M. Burke, Ton Dang, Maria Zoudilova, Raymond A. Sobel, Eugene C. Butcher, Brian A. Zabel

published 01 Dec 2014

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The Potent Cdc7-Dbf4 (DDK) Kinase Inhibitor XL413 Has Limited Activity in Many Cancer Cell Lines and Discovery of Potential New DDK Inhibitor Scaffolds

Nanda Kumar Sasi, Kanchan Tiwari, Fen-Fen Soon, Dorine Bonte, Tong Wang, Karsten Melcher, H. Eric Xu, Michael Weinreich

published 20 Nov 2014

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Alzheimer's Therapeutics Targeting Amyloid Beta 1–42 Oligomers II: Sigma-2/PGRMC1 Receptors Mediate Abeta 42 Oligomer Binding and Synaptotoxicity

Nicholas J. Izzo, Jinbin Xu, Chenbo Zeng, Molly J. Kirk, Kelsie Mozzoni, Colleen Silky, Courtney Rehak, Raymond Yurko, Gary Look, Gilbert Rishton, Hank Safferstein, Carlos Cruchaga, Alison Goate, Michael A. Cahill, Ottavio Arancio, Robert H. Mach, Rolf Craven, Elizabeth Head, Harry LeVine III, Tara L. Spires-Jones, Susan M. Catalano

published 12 Nov 2014

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Alzheimer's Therapeutics Targeting Amyloid Beta 1–42 Oligomers I: Abeta 42 Oligomer Binding to Specific Neuronal Receptors Is Displaced by Drug Candidates That Improve Cognitive Deficits

Nicholas J. Izzo, Agnes Staniszewski, Lillian To, Mauro Fa, Andrew F. Teich, Faisal Saeed, Harrison Wostein, Thomas Walko III, Anisha Vaswani, Meghan Wardius, Zanobia Syed, Jessica Ravenscroft, Kelsie Mozzoni, Colleen Silky, Courtney Rehak, Raymond Yurko, Patricia Finn, Gary Look, Gilbert Rishton, Hank Safferstein, Miles Miller, Conrad Johanson, Edward Stopa, Manfred Windisch, Birgit Hutter-Paier, Mehrdad Shamloo, Ottavio Arancio, Harry LeVine III, Susan M. Catalano

published 12 Nov 2014

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A Physiologically-Motivated Compartment-Based Model of the Effect of Inhaled Hypertonic Saline on Mucociliary Clearance and Liquid Transport in Cystic Fibrosis

Matthew R. Markovetz, Timothy E. Corcoran, Landon W. Locke, Michael M. Myerburg, Joseph M. Pilewski, Robert S. Parker

published 10 Nov 2014

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Discovery and Characterization of a Potent and Selective Inhibitor of Aedes aegypti Inward Rectifier Potassium Channels

Rene Raphemot, Matthew F. Rouhier, Daniel R. Swale, Emily Days, C. David Weaver, Kimberly M. Lovell, Leah C. Konkel, Darren W. Engers, Sean F. Bollinger, Corey Hopkins, Peter M. Piermarini, Jerod S. Denton

published 06 Nov 2014

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