2. Academic Validation
  3. Identification of a novel inhibitor of JAK2 tyrosine kinase by structure-based virtual screening

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

  • Bioorg Med Chem Lett. 2009 Jul 1;19(13):3598-601. doi: 10.1016/j.bmcl.2009.04.138.
Róbert Kiss 1,  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
Affiliations

Affiliation

  • 1 Department of Pharmaceutical Chemistry, Semmelweis University, 9 Hogyes Endre u., Budapest H-1092, Hungary.
PMID: 19447617 DOI: 10.1016/j.bmcl.2009.04.138
Abstract

Janus kinase 2 (JAK2) plays a crucial role in the pathomechanism of myeloproliferative disorders and hematologic malignancies. A somatic mutation of JAK2 (Val617Phe) was previously shown to occur in 98% of patients with polycythemia vera and 50% of patients with essential thrombocythemia and primary myelofibrosis. Thus, effective JAK2 kinase inhibitors may be of significant therapeutic importance. Here, we applied a structure-based virtual screen to identify novel JAK2 inhibitors. One JAK2 Inhibitor in particular, G6, demonstrated remarkable potency as well as specificity, which makes it as a potential lead candidate against diseases related to elevated JAK2 tyrosine kinase activity.

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