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PMID: 24390428 Published · ppublish English Journal Article

Allosteric Wip1 phosphatase inhibition through flap-subdomain interaction.

Nature chemical biology ·Vol. 10 ·No. 3 ·2014-03-00 ·Pages 181-7

Gilmartin AG, Faitg TH, Richter M, Groy A, Seefeld MA, Darcy MG, Peng X, Federowicz K, Yang J, Zhang SY, Minthorn E, Jaworski JP, Schaber M, Martens S, McNulty DE, Sinnamon RH, Zhang H, Kirkpatrick RB, Nevins N, Cui G, Pietrak B, Diaz E, Jones A, Brandt M, Schwartz B, Heerding DA, Kumar R

Abstract

Although therapeutic interventions of signal-transduction cascades with targeted kinase inhibitors are a well-established strategy, drug-discovery efforts to identify targeted phosphatase inhibitors have proven challenging. Herein we report a series of allosteric, small-molecule inhibitors of wild-type p53-induced phosphatase (Wip1), an oncogenic phosphatase common to multiple cancers. Compound binding to Wip1 is dependent on a 'flap' subdomain located near the Wip1 catalytic site that renders Wip1 structurally divergent from other members of the protein phosphatase 2C (PP2C) family and that thereby confers selectivity for Wip1 over other phosphatases. Treatment of tumor cells with the inhibitor GSK2830371 increases phosphorylation of Wip1 substrates and causes growth inhibition in both hematopoietic tumor cell lines and Wip1-amplified breast tumor cells harboring wild-type TP53. Oral administration of Wip1 inhibitors in mice results in expected pharmacodynamic effects and causes inhibition of lymphoma xenograft growth. To our knowledge, GSK2830371 is the first orally active, allosteric inhibitor of Wip1 phosphatase.

MeSH Terms
Administration, Oral Allosteric Regulation Amino Acid Motifs Aminopyridines/chemistry,pharmacology Animals Antineoplastic Agents/chemistry,pharmacology Catalytic Domain Cell Line, Tumor Dipeptides/chemistry,pharmacology Disease Models, Animal Drug Screening Assays, Antitumor Enzyme Activation/drug effects Enzyme Inhibitors/chemistry,pharmacology Female Heterografts Humans Mice Mice, SCID Models, Biological Neoplasms Phosphoprotein Phosphatases/antagonists & inhibitors Protein Phosphatase 2C
Chemicals
Aminopyridines Antineoplastic Agents Dipeptides Enzyme Inhibitors GSK2830371 PPM1A protein, human PPM1B protein, human PPM1D protein, human PPM1G protein, human Phosphoprotein Phosphatases Ppm1d protein, mouse Protein Phosphatase 2C
Authors & Affiliations
27 authors, click to expand affiliations / ORCID
Gilmartin Aidan G
Protein Dynamics Discovery Performance Unit, Cancer Research, Oncology Research and Development, GlaxoSmithKline, Collegeville, Pennsylvania, USA.
Faitg Thomas H
Protein Dynamics Discovery Performance Unit, Cancer Research, Oncology Research and Development, GlaxoSmithKline, Collegeville, Pennsylvania, USA.
Richter Mark
Protein Dynamics Discovery Performance Unit, Cancer Research, Oncology Research and Development, GlaxoSmithKline, Collegeville, Pennsylvania, USA.
Groy Arthur
Protein Dynamics Discovery Performance Unit, Cancer Research, Oncology Research and Development, GlaxoSmithKline, Collegeville, Pennsylvania, USA.
Seefeld Mark A
Protein Dynamics Discovery Performance Unit, Cancer Research, Oncology Research and Development, GlaxoSmithKline, Collegeville, Pennsylvania, USA.
Darcy Michael G
Protein Dynamics Discovery Performance Unit, Cancer Research, Oncology Research and Development, GlaxoSmithKline, Collegeville, Pennsylvania, USA.
Peng Xin
Protein Dynamics Discovery Performance Unit, Cancer Research, Oncology Research and Development, GlaxoSmithKline, Collegeville, Pennsylvania, USA.
Federowicz Kelly
Protein Dynamics Discovery Performance Unit, Cancer Research, Oncology Research and Development, GlaxoSmithKline, Collegeville, Pennsylvania, USA.
Yang Jingsong
Protein Dynamics Discovery Performance Unit, Cancer Research, Oncology Research and Development, GlaxoSmithKline, Collegeville, Pennsylvania, USA.
Zhang Shu-Yun
Protein Dynamics Discovery Performance Unit, Cancer Research, Oncology Research and Development, GlaxoSmithKline, Collegeville, Pennsylvania, USA.
Minthorn Elisabeth
Protein Dynamics Discovery Performance Unit, Cancer Research, Oncology Research and Development, GlaxoSmithKline, Collegeville, Pennsylvania, USA.
Jaworski Jon-Paul
Platform Technology and Sciences, GlaxoSmithKline, Collegeville, Pennsylvania, USA.
Schaber Michael
Platform Technology and Sciences, GlaxoSmithKline, Collegeville, Pennsylvania, USA.
Martens Stan
Platform Technology and Sciences, GlaxoSmithKline, Collegeville, Pennsylvania, USA.
McNulty Dean E
Platform Technology and Sciences, GlaxoSmithKline, Collegeville, Pennsylvania, USA.
Sinnamon Robert H
Platform Technology and Sciences, GlaxoSmithKline, Collegeville, Pennsylvania, USA.
Zhang Hong
Platform Technology and Sciences, GlaxoSmithKline, Collegeville, Pennsylvania, USA.
Kirkpatrick Robert B
Platform Technology and Sciences, GlaxoSmithKline, Collegeville, Pennsylvania, USA.
Nevins Neysa
Platform Technology and Sciences, GlaxoSmithKline, Collegeville, Pennsylvania, USA.
Cui Guanglei
Platform Technology and Sciences, GlaxoSmithKline, Collegeville, Pennsylvania, USA.
Pietrak Beth
Platform Technology and Sciences, GlaxoSmithKline, Collegeville, Pennsylvania, USA.
Diaz Elsie
Platform Technology and Sciences, GlaxoSmithKline, Collegeville, Pennsylvania, USA.
Jones Amber
Platform Technology and Sciences, GlaxoSmithKline, Collegeville, Pennsylvania, USA.
Brandt Martin
Platform Technology and Sciences, GlaxoSmithKline, Collegeville, Pennsylvania, USA.
Schwartz Benjamin
Platform Technology and Sciences, GlaxoSmithKline, Collegeville, Pennsylvania, USA.
Heerding Dirk A
Protein Dynamics Discovery Performance Unit, Cancer Research, Oncology Research and Development, GlaxoSmithKline, Collegeville, Pennsylvania, USA.
Kumar Rakesh
Protein Dynamics Discovery Performance Unit, Cancer Research, Oncology Research and Development, GlaxoSmithKline, Collegeville, Pennsylvania, USA.
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Article Info
Journal
Nature chemical biology
Abbr.
Nat Chem Biol
ISSN
1552-4469
Published
2014-03-00
Epub
2014-00-05
Pages
181-7
Language
English
Region
United States
NLM ID
101231976
Subset
IM
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