Literature DB >> 19019674

Fragment-based discovery of JAK-2 inhibitors.

Stephen Antonysamy1, Gavin Hirst, Frances Park, Paul Sprengeler, Frank Stappenbeck, Ruo Steensma, Mark Wilson, Melissa Wong.   

Abstract

Fragment-based hit identification coupled with crystallographically enabled structure-based drug design was used to design potent inhibitors of JAK-2. After two iterations from fragment 1, we were able to increase potency by greater than 500-fold to provide sulfonamide 13, a 78-nM JAK-2 inhibitor.

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Year:  2008        PMID： 19019674     DOI： 10.1016/j.bmcl.2008.08.064

Source DB:  PubMed          Journal:  Bioorg Med Chem Lett        ISSN： 0960-894X            Impact factor:   2.823


  16 in total

Review 1.  Comprehensive survey of chemical libraries for drug discovery and chemical biology: 2009.

Authors:  Roland E Dolle; Bertrand Le Bourdonnec; Karin Worm; Guillermo A Morales; Craig J Thomas; Wei Zhang
Journal:  J Comb Chem       Date:  2010-10-05

2.  Structure-function correlation of G6, a novel small molecule inhibitor of Jak2: indispensability of the stilbenoid core.

Authors:  Anurima Majumder; Lakshmanan Govindasamy; Andrew Magis; Róbert Kiss; Tímea Polgár; Rebekah Baskin; Robert W Allan; Mavis Agbandje-McKenna; Gary W Reuther; György M Keseru; Kirpal S Bisht; Peter P Sayeski
Journal:  J Biol Chem       Date:  2010-07-28       Impact factor: 5.157

3.  Identifying ligand-binding hot spots in proteins using brominated fragments.

Authors:  Morten K Grøftehauge; Martin Ø Therkelsen; Rolf Taaning; Troels Skrydstrup; J Preben Morth; Poul Nissen
Journal:  Acta Crystallogr Sect F Struct Biol Cryst Commun       Date:  2013-08-19

4.  Dual inhibitors of Janus kinase 2 and 3 (JAK2/3): designing by pharmacophore- and docking-based virtual screening approach.

Authors:  Haneesh Jasuja; Navriti Chadha; Maninder Kaur; Om Silakari
Journal:  Mol Divers       Date:  2014-01-11       Impact factor: 2.943

5.  Fragment-Based Discovery of 6-Arylindazole JAK Inhibitors.

Authors:  Andreas Ritzén; Morten D Sørensen; Kevin N Dack; Daniel R Greve; Anders Jerre; Martin A Carnerup; Klaus A Rytved; Jesper Bagger-Bahnsen
Journal:  ACS Med Chem Lett       Date:  2016-04-14       Impact factor: 4.345

Review 6.  The use of structural biology in Janus kinase targeted drug discovery.

Authors:  Nilda L Alicea-Velázquez; Titus J Boggon
Journal:  Curr Drug Targets       Date:  2011-04       Impact factor: 3.465

7.  The stilbenoid tyrosine kinase inhibitor, G6, suppresses Jak2-V617F-mediated human pathological cell growth in vitro and in vivo.

Authors:  Annet Kirabo; Jennifer Embury; Róbert Kiss; Tímea Polgár; Meghanath Gali; Anurima Majumder; Kirpal S Bisht; Christopher R Cogle; György M Keseru; Peter P Sayeski
Journal:  J Biol Chem       Date:  2010-12-02       Impact factor: 5.157

8.  AlphaSpace 2.0: Representing Concave Biomolecular Surfaces Using β-Clusters.

Authors:  Joseph Katigbak; Haotian Li; David Rooklin; Yingkai Zhang
Journal:  J Chem Inf Model       Date:  2020-02-11       Impact factor: 4.956

Review 9.  The current status and the future of JAK2 inhibitors for the treatment of myeloproliferative diseases.

Authors:  Yasumichi Hitoshi; Nan Lin; Donald G Payan; Vadim Markovtsov
Journal:  Int J Hematol       Date:  2010-02-27       Impact factor: 2.490

10.  Identification of a novel inhibitor of JAK2 tyrosine kinase by structure-based virtual screening.

Authors:  Róbert Kiss; Tímea Polgár; Annet Kirabo; Jacqueline Sayyah; Nicholas C Figueroa; Alan F List; Lubomir Sokol; Kenneth S Zuckerman; Meghanath Gali; Kirpal S Bisht; Peter P Sayeski; György M Keseru
Journal:  Bioorg Med Chem Lett       Date:  2009-05-05       Impact factor: 2.823
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