Literature DB >> 20218619

Discovery and evaluation of 7-alkyl-1,5-bis-aryl-pyrazolopyridinones as highly potent, selective, and orally efficacious inhibitors of p38alpha mitogen-activated protein kinase.

Liping H Pettus1, Ryan P Wurz, Shimin Xu, Brad Herberich, Bradley Henkle, Qiurong Liu, Helen J McBride, Sharon Mu, Matthew H Plant, Christiaan J M Saris, Lisa Sherman, Lu Min Wong, Samer Chmait, Matthew R Lee, Christopher Mohr, Faye Hsieh, Andrew S Tasker.   

Abstract

The p38alpha mitogen-activated protein (MAP) kinase is a central signaling molecule in many proinflammatory pathways, regulating the cellular response to a multitude of external stimuli including heat, ultraviolet radiation, osmotic shock, and a variety of cytokines especially interleukin-1beta and tumor necrosis factor alpha. Thus, inhibitors of this enzyme are postulated to have significant therapeutic potential for the treatment of rheumatoid arthritis, inflammatory bowel disease, and Crohn's disease, as well as other diseases where aberrant cytokine signaling is the driver of disease. In this communication, we describe a novel class of 7-alkyl-1,5-bis-aryl-pyrazolopyridinone-based p38alpha inhibitors. In particular, compound 3f is highly potent in the enzyme and cell-based assays, selective in an Ambit kinase screen, and efficacious (ED(50) < or = 0.01 mg/kg) in the rat collagen induced arthritis (CIA) model.

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Year:  2010        PMID: 20218619     DOI: 10.1021/jm100095x

Source DB:  PubMed          Journal:  J Med Chem        ISSN: 0022-2623            Impact factor:   7.446


  8 in total

1.  Investigation of differences in the binding affinities of two analogous ligands for untagged and tagged p38 kinase using thermodynamic integration MD simulation.

Authors:  Ying-Chieh Sun; Wen-Chi Hsu; Chia-Jen Hsu; Chia-Ming Chang; Kai-Hsiang Cheng
Journal:  J Mol Model       Date:  2015-10-08       Impact factor: 1.810

2.  Oxopyrido[2,3-d]pyrimidines as Covalent L858R/T790M Mutant Selective Epidermal Growth Factor Receptor (EGFR) Inhibitors.

Authors:  Ryan P Wurz; Liping H Pettus; Kate Ashton; James Brown; Jian Jeffrey Chen; Brad Herberich; Fang-Tsao Hong; Essa Hu-Harrington; Tom Nguyen; David J St Jean; Seifu Tadesse; David Bauer; Michele Kubryk; Jinghui Zhan; Keegan Cooke; Petia Mitchell; Kristin L Andrews; Faye Hsieh; Dean Hickman; Nataraj Kalyanaraman; Tian Wu; Darren L Reid; Edward K Lobenhofer; Dina A Andrews; Nancy Everds; Roberto Guzman; Andrew T Parsons; Simon J Hedley; Jason Tedrow; Oliver R Thiel; Matthew Potter; Robert Radinsky; Pedro J Beltran; Andrew S Tasker
Journal:  ACS Med Chem Lett       Date:  2015-07-27       Impact factor: 4.345

3.  3D-QSAR and molecular docking studies on fused pyrazoles as p38α mitogen-activated protein kinase inhibitors.

Authors:  Ping Lan; Zhi-Jian Huang; Jun-Rong Sun; Wei-Min Chen
Journal:  Int J Mol Sci       Date:  2010-09-17       Impact factor: 5.923

4.  Overcoming Paradoxical Kinase Priming by a Novel MNK1 Inhibitor.

Authors:  Elisabeth Bou-Petit; Stefan Hümmer; Helena Alarcon; Konstantin Slobodnyuk; Marta Cano-Galietero; Pedro Fuentes; Pedro J Guijarro; María José Muñoz; Leticia Suarez-Cabrera; Anna Santamaria; Roger Estrada-Tejedor; José I Borrell; Santiago Ramón Y Cajal
Journal:  J Med Chem       Date:  2022-04-13       Impact factor: 8.039

5.  CrystalDock: a novel approach to fragment-based drug design.

Authors:  Jacob D Durrant; Aaron J Friedman; J Andrew McCammon
Journal:  J Chem Inf Model       Date:  2011-10-05       Impact factor: 4.956

Review 6.  Mitogen-activated protein kinases as therapeutic targets for rheumatoid arthritis.

Authors:  Verica Paunovic; Margaret M Harnett
Journal:  Drugs       Date:  2013-02       Impact factor: 9.546

7.  Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction.

Authors:  D Martin Watterson; Valerie L Grum-Tokars; Saktimayee M Roy; James P Schavocky; Brinda Desai Bradaric; Adam D Bachstetter; Bin Xing; Edgardo Dimayuga; Faisal Saeed; Hong Zhang; Agnieszka Staniszewski; Jeffrey C Pelletier; George Minasov; Wayne F Anderson; Ottavio Arancio; Linda J Van Eldik
Journal:  PLoS One       Date:  2013-06-26       Impact factor: 3.240

8.  Druggability Assessment of Allosteric Proteins by Dynamics Simulations in the Presence of Probe Molecules.

Authors:  Ahmet Bakan; Neysa Nevins; Ami S Lakdawala; Ivet Bahar
Journal:  J Chem Theory Comput       Date:  2012-06-05       Impact factor: 6.006

  8 in total

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