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References from Computational insights into synergistic mechanisms of PD-901 and 5-azacitidine targeting PTPN11 (SHP2) E76K mutation in juvenile myelomonocytic leukemia. Local targets link to admitted publications; unresolved targets remain external evidence.
Unresolved reference
2014 · External reference
The protein data bank
10.1107/s0907444902003451 · 2002 · External reference
Role of lncRNA morrbid in PTPN11 (Shp2) E76K-driven juvenile myelomonocytic leukemia
10.1182/bloodadvances.2020002123 · 2020 · External reference
Sustained MEK inhibition abrogates myeloproliferative disease in Nf1 mutant mice
10.1172/jci63193 · 2012 · External reference
In vivo targeting MEK and TNK2/SRC pathways in PTPN11 driven leukemia
10.1101/2024.05.16.594555 · 2024 · External reference
Bridging to transplant with azacitidine in juvenile myelomonocytic leukemia: a retrospective analysis of the EWOG-MDS study group
10.1182/blood-2015-01-619734 · 2015 · External reference
Integrated molecular dynamics elucidation of TP53 H179 zinc-binding variants: genomic and structural characterization across NSCLC subtypes
10.3389/fbinf.2026.1736501 · 2026 · External reference
Fragment-based discovery of allosteric inhibitors of SH2 domain-containing protein tyrosine phosphatase-2 (SHP2)
10.1021/acs.jmedchem.3c02118 · 2024 · External reference
Targeted therapy in juvenile myelomonocytic leukemia: where are we now?
10.1002/pbc.29930 · 2022 · External reference
Unresolved reference
2002 · External reference
Genomic and epigenomic landscape of juvenile myelomonocytic leukemia
10.3390/cancers14051335 · 2022 · External reference
Structural insights of metallo-beta-lactamase revealed an effective way of inhibition of enzyme by natural inhibitors
10.1080/07391102.2019.1667265 · 2020 · External reference
Avogadro: an advanced semantic chemical editor, visualization, and analysis platform
10.1186/1758-2946-4-17 · 2012 · External reference
Small molecule kinase inhibitor sunitinib specifically targets juvenile myelomonocytic leukemia cells with SHP2 (PTPN11) mutation
10.1182/blood-2021-149324 · 2021 · External reference
Sunitinib selectively targets leukemogenic signaling of mutant SHP2 in juvenile myelomonocytic leukemia
10.1016/j.bcp.2023.115588 · 2023 · External reference
Exploring the therapeutic potential of Epigallocatechin-3-gallate (green tea) in periodontitis using network pharmacology and molecular modeling approach
10.3390/ijms26189144 · 2025 · External reference
Theoretical investigation of AKT1 mutations in breast cancer: a computational approach to structural and functional insights
10.1007/s10822-025-00601-8 · 2025 · External reference
Computational analysis of mutations in WNT10A gene and its structural and functional consequences in tooth agenesis
10.1142/s2737416525500115 · 2025 · External reference
Targeting SHP2 phosphatase in hematological malignancies
10.1080/14728222.2022.2066518 · 2022 · External reference
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10.1021/ci500020m · 2014 · External reference
Identification of TNO155, an allosteric SHP2 inhibitor for the treatment of cancer
10.1021/acs.jmedchem.0c01170 · 2020 · External reference
Scaffold-based selective SHP2 inhibitors design using core hopping, molecular docking, biological evaluation and molecular simulation
10.1016/j.bioorg.2020.104391 · 2020 · External reference
Preclinical characterization of tunlametinib, a novel, potent, and selective MEK inhibitor
10.3389/fphar.2023.1271268 · 2023 · External reference
Computational molecular insights into ibrutinib as a potent inhibitor of HER2-L755S mutant in breast cancer: gene expression studies, virtual screening, docking, and molecular dynamics analysis
10.3389/fmolb.2025.1510896 · 2025 · External reference
A MEK inhibitor abrogates myeloproliferative disease in kras mutant mice
10.1126/scitranslmed.3001069 · 2011 · External reference
Current treatment of juvenile myelomonocytic leukemia
10.3390/jcm10143084 · 2021 · External reference
After 95 years, it's time to eRASe JMML
10.1016/j.blre.2020.100652 · 2020 · External reference
Response to upfront azacitidine in juvenile myelomonocytic leukemia in the AZA-JMML-001 trial
10.1182/bloodadvances.2020004144 · 2021 · External reference
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10.1186/1758-2946-3-33 · 2011 · External reference
Structural, hirshfeld, spectroscopic, quantum chemical and molecular docking studies of N'-(4-(4-Chlorophenyl)-1, 3-dicyano-5, 6, 7, 8, 9, 10-hexahydrobenzo [8] annulen 2-yl) N, N-dimethylformimidamide as CCR2 inhibitors
10.1016/j.molstruc.2021.130503 · 2021 · External reference
Unresolved reference
2020 · External reference
Potential clinical use of azacitidine and MEK inhibitor combination therapy in PTPN11-mutated juvenile myelomonocytic leukemia
10.1016/j.ymthe.2023.01.030 · 2023 · External reference
CD39, CD73 and the adenosine pathway mediate immune escape in juvenile myelomonocytic leukemia (JMML)
10.1182/blood-2024-209744 · 2024 · External reference
Inhibition of BTK and PI3Kδ impairs the development of human JMML stem and progenitor cells
10.1016/j.ymthe.2022.04.009 · 2022 · External reference
Therapeutic potential of targeting SHP2 in human developmental disorders and cancers
10.1016/j.ejmech.2020.112117 · 2020 · External reference
Epigenetic profiling of PTPN11 mutant JMML hematopoietic stem and progenitor cells reveals an aberrant histone landscape
10.3390/cancers15215204 · 2023 · External reference
Inflammatory response in hematopoietic stem and progenitor cells triggered by activating SHP2 mutations evokes blood defects
10.7554/elife.73040 · 2022 · External reference
MEK inhibition demonstrates activity in relapsed, refractory patients with juvenile myelomonocytic leukemia: results from COG study ADVL1521
10.1182/blood-2021-144850 · 2021 · External reference
AutoDock vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
10.1002/jcc.21334 · 2010 · External reference
Unresolved reference
2005 · External reference
Antechamber: an accessory software package for molecular mechanical calculations
2001 · External reference
Combined inhibition of SHP2 and MEK is effective in models of NF1-deficient malignant peripheral nerve sheath tumors
10.1158/0008-5472.can-20-1365 · 2020 · External reference
Allosteric modulation of SHP2: quest from known to unknown
10.1002/ddr.22100 · 2023 · External reference
Induced pluripotent stem cells to model juvenile myelomonocytic leukemia: new perspectives for preclinical research
10.3390/cells10092335 · 2021 · External reference
Setting sail: maneuvering SHP2 activity and its effects in cancer
10.1016/bs.acr.2023.03.003 · 2023 · External reference
Design, synthesis, biological evaluation, common feature pharmacophore model and molecular dynamics simulation studies of ethyl 4-(phenoxymethyl)-2-phenylthiazole-5-carboxylate as src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2) inhibitors
10.1080/07391102.2020.1726817 · 2021 · External reference
BH3 mimetics and azacitidine show synergistic effects on juvenile myelomonocytic leukemia
10.1038/s41375-023-02079-5 · 2024 · External reference
Recent advances of SHP2 inhibitors in cancer therapy: current development and clinical application
10.1021/acs.jmedchem.0c00249 · 2020 · External reference
Prediction of SHP2-E76K binding sites based on molecular dynamics simulation and markov algorithm
10.1080/07391102.2024.2431193 · 2025 · External reference
Establishment of stable cell lines representing juvenile myelomonocytic leukemia with SHP2 mutations
10.1182/blood-2021-150007 · 2021 · External reference
Leukemogenic SHP2 mutations lead to erythropoietin independency of HCD-57 cells: a novel model for preclinical research of SHP2-mutant JMML
10.1186/s40164-023-00379-1 · 2023 · External reference