Publikationen in Zusammenarbeit mit Forschern von Centro Nacional de Investigaciones Oncológicas (27)

2024

  1. Epigenetic-based differentiation therapy for Acute Myeloid Leukemia

    Nature Communications, Vol. 15, Núm. 1

2019

  1. Discovery of novel triazolo[4,3-b]pyridazin-3-yl-quinoline derivatives as PIM inhibitors

    European Journal of Medicinal Chemistry, Vol. 168, pp. 87-109

2017

  1. Discovery of first-in-class reversible dual small molecule inhibitors against G9a and DNMTs in hematological malignancies

    Nature Communications, Vol. 8

  2. Information retrieval and text mining technologies for chemistry

    Chemical Reviews, Vol. 117, Núm. 12, pp. 7673-7761

  3. LimTox: A web tool for applied text mining of adverse event and toxicity associations of compounds, drugs and genes

    Nucleic Acids Research, Vol. 45, Núm. W1, pp. W484-W489

2015

  1. CHEMDNER: The drugs and chemical names extraction challenge

    Journal of Cheminformatics, Vol. 7

  2. The CHEMDNER corpus of chemicals and drugs and its annotation principles

    Journal of Cheminformatics, Vol. 7

2014

  1. Discovery of selective ligands for telomeric RNA G-quadruplexes (TERRA) through 19F-NMR based fragment screening

    ACS Chemical Biology, Vol. 9, Núm. 7, pp. 1559-1566

2012

  1. Conformational selection versus induced fit in kinases: The case of PI3K-Iγ

    Angewandte Chemie - International Edition, Vol. 51, Núm. 3, pp. 642-646

  2. Fragment-Hopping-Based Discovery of a Novel Chemical Series of Proto-Oncogene PIM-1 Kinase Inhibitors

    PLoS ONE, Vol. 7, Núm. 10

  3. Hit to lead evaluation of 1,2,3-triazolo[4,5-b]pyridines as PIM kinase inhibitors

    Bioorganic and Medicinal Chemistry Letters, Vol. 22, Núm. 4, pp. 1591-1597

  4. Identification of ETP-46321, a potent and orally bioavailable PI3K α, δ inhibitor

    Bioorganic and Medicinal Chemistry Letters, Vol. 22, Núm. 10, pp. 3460-3466

  5. Imidazo[1,2-a]pyrazines as novel PI3K inhibitors

    Bioorganic and Medicinal Chemistry Letters, Vol. 22, Núm. 5, pp. 1874-1878

  6. Rapid identification of ETP-46992, orally bioavailable PI3K inhibitor, selective versus mTOR

    Bioorganic and Medicinal Chemistry Letters, Vol. 22, Núm. 16, pp. 5208-5214

2011

  1. A cell-based screen identifies ATR inhibitors with synthetic lethal properties for cancer-associated mutations

    Nature Structural and Molecular Biology, Vol. 18, Núm. 6, pp. 721-727

  2. Computational medicinal chemistry in fragment-based drug discovery: What, how and when

    Future Medicinal Chemistry, Vol. 3, Núm. 1, pp. 95-134

  3. Pim 1 kinase inhibitor ETP-45299 suppresses cellular proliferation and synergizes with PI3K inhibition

    Cancer Letters, Vol. 300, Núm. 2, pp. 145-153

2010

  1. An integrated one-step system to extract, analyze and annotate all relevant information from image-based cell screening of chemical libraries

    Molecular BioSystems, Vol. 6, Núm. 4, pp. 711-720

  2. Discovery of 1,5-disubstituted pyridones: A new class of positive allosteric modulators of the metabotropic glutamate 2 receptor

    ACS Chemical Neuroscience, Vol. 1, Núm. 12, pp. 788-795

  3. Discovery of mitogen-activated protein kinase-interacting kinase 1 inhibitors by a comprehensive fragment-oriented virtual screening approach

    Journal of Medicinal Chemistry, Vol. 53, Núm. 18, pp. 6618-6628