Publications (61) María Obdulia Rabal Gracia publications

2024

  1. AI is a viable alternative to high throughput screening: a 318-target study

    Scientific Reports, Vol. 14, Núm. 1

  2. Correction to: AI is a viable alternative to high throughput screening: a 318-target study (Scientific Reports, (2024), 14, 1, (7526), 10.1038/s41598-024-54655-z)

    Scientific Reports

  3. Epigenetic-based differentiation therapy for Acute Myeloid Leukemia

    Nature Communications, Vol. 15, Núm. 1

2021

  1. Design and Synthesis of Novel Epigenetic Inhibitors Targeting Histone Deacetylases, DNA Methyltransferase 1, and Lysine Methyltransferase G9a with in Vivo Efficacy in Multiple Myeloma

    Journal of Medicinal Chemistry, Vol. 64, Núm. 6, pp. 3392-3426

2020

  1. A novel FTY720 analogue targets SET-PP2A interaction and inhibits growth of acute myeloid leukemia cells without inducing cardiac toxicity

    Cancer Letters, Vol. 468, pp. 1-13

  2. Re: Inhibition of a G9a/DNMT Network Triggers Immune-Mediated Bladder Cancer Regression

    Journal of Urology

  3. Towards the understanding of the activity of G9a inhibitors: an activity landscape and molecular modeling approach

    Journal of Computer-Aided Molecular Design, Vol. 34, Núm. 6, pp. 659-669

2019

  1. Discovery of in Vivo Chemical Probes for Treating Alzheimer's Disease: Dual Phosphodiesterase 5 (PDE5) and Class i Histone Deacetylase Selective Inhibitors

    ACS Chemical Neuroscience, Vol. 10, Núm. 3, pp. 1765-1782

  2. 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

  3. Dual Targeting of Histone Methyltransferase G9a and DNA-Methyltransferase 1 for the Treatment of Experimental Hepatocellular Carcinoma

    Hepatology, Vol. 69, Núm. 2, pp. 587-603

  4. Inhibition of a G9a/DNMT network triggers immune-mediated bladder cancer regression

    Nature Medicine

  5. MMP10 Promotes Efficient Thrombolysis After Ischemic Stroke in Mice with Induced Diabetes

    Translational Stroke Research, Vol. 10, Núm. 4, pp. 389-401

  6. Multitarget Approach for the Treatment of Alzheimer's Disease: Inhibition of Phosphodiesterase 9 (PDE9) and Histone Deacetylases (HDACs) Covering Diverse Selectivity Profiles

    ACS Chemical Neuroscience, Vol. 10, Núm. 9, pp. 4076-4101

  7. PharmaCoNER: Pharmacological Substances, Compounds and proteins Named Entity Recognition track

    BioNLP-OST@EMNLP-IJNCLP 2019 - Proceedings of the 5th Workshop on BioNLP Open Shared Tasks

  8. Taking advantage of the selectivity of histone deacetylases and phosphodiesterase inhibitors to design better therapeutic strategies to treat Alzheimer's disease

    Frontiers in Aging Neuroscience, Vol. 11, Núm. JUN

2018

  1. Design, synthesis, biological evaluation and in vivo testing of dual phosphodiesterase 5 (PDE5) and histone deacetylase 6 (HDAC6)-selective inhibitors for the treatment of Alzheimer's disease

    European Journal of Medicinal Chemistry, Vol. 150, pp. 506-524

  2. Detailed Exploration around 4-Aminoquinolines Chemical Space to Navigate the Lysine Methyltransferase G9a and DNA Methyltransferase Biological Spaces

    Journal of Medicinal Chemistry, Vol. 61, Núm. 15, pp. 6546-6573

  3. Development and Validation of Molecular Overlays Derived from Three-Dimensional Hydrophobic Similarity with PharmScreen

    Journal of Chemical Information and Modeling, Vol. 58, Núm. 8, pp. 1596-1609

  4. Discovery of Reversible DNA Methyltransferase and Lysine Methyltransferase G9a Inhibitors with Antitumoral in Vivo Efficacy

    Journal of Medicinal Chemistry, Vol. 61, Núm. 15, pp. 6518-6545

  5. Immunomodulatory properties of carvone inhalation and its effects on contextual fear memory in mice

    Frontiers in Immunology, Vol. 9, Núm. JAN