Literature DB >> 28626520

JAK2 JH2 Fluorescence Polarization Assay and Crystal Structures for Complexes with Three Small Molecules.

Ana S Newton1, Luca Deiana1, David E Puleo2, José A Cisneros1, Kara J Cutrona1, Joseph Schlessinger2, William L Jorgensen1.   

Abstract

A competitive fluorescence polarization (FP) assay is reported for determining binding affinities of probe molecules with the pseudokinase JAK2 JH2 allosteric site. The syntheses of the fluorescent 5 and 6 used in the assay are reported as well as Kd results for 10 compounds, including JNJ7706621, NVP-BSK805, and filgotinib (GLPG0634). X-ray crystal structures of JAK2 JH2 in complex with NVP-BSK805, filgotinib, and diaminopyrimidine 8 elucidate the binding poses.

Entities:  

Keywords:  FP; Filgotinib (GLPG0634); Fluorescence polarization; JAK2; JAK2 JH2; JNJ7706621; Janus Kinase 2; NVP-BSK805; Protein crystallography; Pseudokinase domain

Year:  2017        PMID： 28626520      PMCID： PMC5467202          DOI： 10.1021/acsmedchemlett.7b00154

Source DB:  PubMed          Journal:  ACS Med Chem Lett        ISSN： 1948-5875            Impact factor:   4.345


  21 in total

1.  Autoinhibition of Jak2 tyrosine kinase is dependent on specific regions in its pseudokinase domain.

Authors:  Pipsa Saharinen; Mauno Vihinen; Olli Silvennoinen
Journal:  Mol Biol Cell       Date:  2003-04       Impact factor: 4.138

2.  Triazolopyridines as selective JAK1 inhibitors: from hit identification to GLPG0634.

Authors:  Christel J Menet; Stephen R Fletcher; Guy Van Lommen; Raphael Geney; Javier Blanc; Koen Smits; Nolwenn Jouannigot; Pierre Deprez; Ellen M van der Aar; Philippe Clement-Lacroix; Liên Lepescheux; René Galien; Béatrice Vayssiere; Luc Nelles; Thierry Christophe; Reginald Brys; Muriel Uhring; Fabrice Ciesielski; Luc Van Rompaey
Journal:  J Med Chem       Date:  2014-11-17       Impact factor: 7.446

3.  ATP binding to the pseudokinase domain of JAK2 is critical for pathogenic activation.

Authors:  Henrik M Hammarén; Daniela Ungureanu; Jean Grisouard; Radek C Skoda; Stevan R Hubbard; Olli Silvennoinen
Journal:  Proc Natl Acad Sci U S A       Date:  2015-03-30       Impact factor: 11.205

4.  Development of pyrimidine-based inhibitors of Janus tyrosine kinase 3.

Authors:  Jack J Chen; Kumar D Thakur; Michael P Clark; Steven K Laughlin; Kelly M George; Roger G Bookland; Jan R Davis; Edward J Cabrera; Vijay Easwaran; Biswanath De; Y George Zhang
Journal:  Bioorg Med Chem Lett       Date:  2006-08-24       Impact factor: 2.823

5.  Activating mutation in the tyrosine kinase JAK2 in polycythemia vera, essential thrombocythemia, and myeloid metaplasia with myelofibrosis.

Authors:  Ross L Levine; Martha Wadleigh; Jan Cools; Benjamin L Ebert; Gerlinde Wernig; Brian J P Huntly; Titus J Boggon; Iwona Wlodarska; Jennifer J Clark; Sandra Moore; Jennifer Adelsperger; Sumin Koo; Jeffrey C Lee; Stacey Gabriel; Thomas Mercher; Alan D'Andrea; Stefan Fröhling; Konstanze Döhner; Peter Marynen; Peter Vandenberghe; Ruben A Mesa; Ayalew Tefferi; James D Griffin; Michael J Eck; William R Sellers; Matthew Meyerson; Todd R Golub; Stephanie J Lee; D Gary Gilliland
Journal:  Cancer Cell       Date:  2005-04       Impact factor: 31.743

6.  Identification of an acquired JAK2 mutation in polycythemia vera.

Authors:  Runxiang Zhao; Shu Xing; Zhe Li; Xueqi Fu; Qingshan Li; Sanford B Krantz; Zhizhuang Joe Zhao
Journal:  J Biol Chem       Date:  2005-04-29       Impact factor: 5.157

7.  Potent and selective inhibition of polycythemia by the quinoxaline JAK2 inhibitor NVP-BSK805.

Authors:  Fabienne Baffert; Catherine H Régnier; Alain De Pover; Carole Pissot-Soldermann; Gisele A Tavares; Francesca Blasco; Josef Brueggen; Patrick Chène; Peter Drueckes; Dirk Erdmann; Pascal Furet; Marc Gerspacher; Marc Lang; David Ledieu; Lynda Nolan; Stephan Ruetz; Joerg Trappe; Eric Vangrevelinghe; Markus Wartmann; Lorenza Wyder; Francesco Hofmann; Thomas Radimerski
Journal:  Mol Cancer Ther       Date:  2010-06-29       Impact factor: 6.261

8.  Prevention of organ allograft rejection by a specific Janus kinase 3 inhibitor.

Authors:  Paul S Changelian; Mark E Flanagan; Douglas J Ball; Craig R Kent; Kelly S Magnuson; William H Martin; Bonnie J Rizzuti; Perry S Sawyer; Bret D Perry; William H Brissette; Sandra P McCurdy; Elizabeth M Kudlacz; Maryrose J Conklyn; Eileen A Elliott; Erika R Koslov; Michael B Fisher; Timothy J Strelevitz; Kwansik Yoon; David A Whipple; Jianmin Sun; Michael J Munchhof; John L Doty; Jeffrey M Casavant; Todd A Blumenkopf; Michael Hines; Matthew F Brown; Brett M Lillie; Chakrapani Subramanyam; Chang Shang-Poa; Anthony J Milici; Gretchen E Beckius; James D Moyer; Chunyan Su; Thasia G Woodworth; Anderson S Gaweco; Chan R Beals; Bruce H Littman; Douglas A Fisher; James F Smith; Panayiotis Zagouras; Holly A Magna; Mary J Saltarelli; Kimberly S Johnson; Linda F Nelms; Shelley G Des Etages; Lisa S Hayes; Thomas T Kawabata; Deborah Finco-Kent; Deanna L Baker; Michael Larson; Ming-Sing Si; Ricardo Paniagua; John Higgins; Bari Holm; Bruce Reitz; Yong-Jie Zhou; Randall E Morris; John J O'Shea; Dominic C Borie
Journal:  Science       Date:  2003-10-31       Impact factor: 47.728

Review 9.  New insights into the structure and function of the pseudokinase domain in JAK2.

Authors:  Olli Silvennoinen; Daniela Ungureanu; Yashavanthi Niranjan; Henrik Hammaren; Rajintha Bandaranayake; Stevan R Hubbard
Journal:  Biochem Soc Trans       Date:  2013-08       Impact factor: 5.407

Review 10.  Perspectives for the use of structural information and chemical genetics to develop inhibitors of Janus kinases.

Authors:  Claude Haan; Iris Behrmann; Serge Haan
Journal:  J Cell Mol Med       Date:  2010-01-28       Impact factor: 5.310
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  10 in total

1.  Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core.

Authors:  Maria-Elena Liosi; Stefan G Krimmer; Ana S Newton; Thomas K Dawson; David E Puleo; Kara J Cutrona; Yoshihisa Suzuki; Joseph Schlessinger; William L Jorgensen
Journal:  J Med Chem       Date:  2020-05-08       Impact factor: 7.446

2.  Metadynamics as a Postprocessing Method for Virtual Screening with Application to the Pseudokinase Domain of JAK2.

Authors:  Kara J Cutrona; Ana S Newton; Stefan G Krimmer; Julian Tirado-Rives; William L Jorgensen
Journal:  J Chem Inf Model       Date:  2020-05-27       Impact factor: 4.956

3.  Role of water in the determination of protonation states of titratable residues.

Authors:  Syeda Rehana Zia
Journal:  J Mol Model       Date:  2021-01-31       Impact factor: 1.810

4.  Indoloxytriazines as binding molecules for the JAK2 JH2 pseudokinase domain and its V617F variant.

Authors:  Ana S Newton; Maria-Elena Liosi; Sean P Henry; Luca Deiana; John C Faver; Stefan G Krimmer; David E Puleo; Joseph Schlessinger; William L Jorgensen
Journal:  Tetrahedron Lett       Date:  2021-07-02       Impact factor: 2.032

5.  Conversion of a False Virtual Screen Hit into Selective JAK2 JH2 Domain Binders Using Convergent Design Strategies.

Authors:  Sean P Henry; Maria-Elena Liosi; Joseph A Ippolito; Kara J Cutrona; Stefan G Krimmer; Ana S Newton; Joseph Schlessinger; William L Jorgensen
Journal:  ACS Med Chem Lett       Date:  2022-04-21       Impact factor: 4.632

Review 6.  A Comprehensive Overview of Globally Approved JAK Inhibitors.

Authors:  Ahmed M Shawky; Faisal A Almalki; Ashraf N Abdalla; Ahmed H Abdelazeem; Ahmed M Gouda
Journal:  Pharmaceutics       Date:  2022-05-06       Impact factor: 6.525

7.  Covalent inhibitors of EGFR family protein kinases induce degradation of human Tribbles 2 (TRIB2) pseudokinase in cancer cells.

Authors:  Daniel M Foulkes; Dominic P Byrne; Wayland Yeung; Safal Shrestha; Fiona P Bailey; Samantha Ferries; Claire E Eyers; Karen Keeshan; Carrow Wells; David H Drewry; William J Zuercher; Natarajan Kannan; Patrick A Eyers
Journal:  Sci Signal       Date:  2018-09-25       Impact factor: 8.192

8.  Discovery and evaluation of ZT55, a novel highly-selective tyrosine kinase inhibitor of JAK2V617F against myeloproliferative neoplasms.

Authors:  Min Hu; Chengbo Xu; Chao Yang; Hongli Zuo; Chengjuan Chen; Dan Zhang; Gaona Shi; Wenjie Wang; Jiangong Shi; Tiantai Zhang
Journal:  J Exp Clin Cancer Res       Date:  2019-02-04

9.  Diverse saturated heterocycles from a hydroacylation/conjugate addition cascade.

Authors:  Ndidi U N Iwumene; Daniel F Moseley; Robert D C Pullin; Michael C Willis
Journal:  Chem Sci       Date:  2022-01-19       Impact factor: 9.825

10.  eTOX ALLIES: an automated pipeLine for linear interaction energy-based simulations.

Authors:  Luigi Capoferri; Marc van Dijk; Ariën S Rustenburg; Tsjerk A Wassenaar; Derk P Kooi; Eko A Rifai; Nico P E Vermeulen; Daan P Geerke
Journal:  J Cheminform       Date:  2017-11-21       Impact factor: 5.514
  10 in total

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