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Drug Discovery Unit. Structural Biochemistry. Bioinformatics tools.
Avenida Fernando Abril Martorell, 106; Torre A, 6-17; 46026-Valencia, Spain

oncology, metabolomics, drug design, structural biology, cell biology


cancer cell lines, patient samples


3D structural characterization, fragment-based screening, metabolomic profiling, computational chemistry approaches, protein expression, protein purification

Collaborations outside COST

My group collaborates with a number of national and international researchers interested in translational pharmaceutical and clinical research. In particular, we maintain close collaborations with pharmaceutical companies and SMEs to develop novel drugs using structure-based drug design approaches. At the same time, we collaborate with clinicians located in different academic institutions and research hospitals to characterize metabolomic profiles of patients diagnosed with different oncological diseases. These projects are focused on the identification of clinically relevant biomarkers for the diagnosis, prognosis, patient monitoring and treatment evaluation.

Short description of ongoing research projects

Currently, our research focuses on the structural characterization of therapeutically relevant protein targets, the identification of inhibitors of the biological activity of those targets and metabolomics profiling by NMR. From a technical point of view, we mainly use Nuclear Magnetic Resonance (NMR) spectroscopy, both as a high resolution and screening (fragment-based) technique, in combination with other biophysical (surface plasmon resonance, circular dichroism, fluorescence spectroscopy, etc.), biochemical (molecular biology, protein chemistry, cell biology, etc.) and computational (QSAR, docking, etc.) approaches to study the 3D structure and properties of proteins, protein-protein and protein-ligand complexes, as well as metabolites in solution.

  1. 1. Puchades-Carrasco, L., Pineda-Lucena, A. Metabolomics in pharmaceutical research and development. Curr. Opin. Biotechnol. 35, pp. 73-77. 2015.
  2. 2. Sanz-Cortés, M., Carbajo, R.J., Crispi, F., Figueras, F., Pineda-Lucena*, A., Gratacós*, E. (*: corresponding authors). Metabolomic profile of umbilical cord blood plasma from early and late intrauterine growth restricted (IUGR) neonates with and without signs of brain vasodilation. PLoS One. 8, pp. e80121 - e80121. 2013.
  3. 3. Puchades-Carrasco, L., Lecumberri, R., Martínez-López, J., Lahuerta, J.J., Mateos, M.V., Prósper, F., San Miguel, J., Pineda-Lucena, A. Multiple myeloma patients have a specific serum metabolomic profile that changes after achieving complete remission. Clin. Cancer Res. 19, pp. 4770 - 4779. 2013.
  4. 4. MacIntyre, D.A., Melguizo, D., Jiménez, B., Moreno, R., Stojkovic, M., Pineda-Lucena, A. Characterization of hESC conditioning media by 1H-Nuclear Magnetic Resonance Spectroscopy. PLoS One. 6, pp. e16732 - e16732. 2011.
  5. 5. MacIntyre, D.A., Jiménez, B., Jantús-Lewintre, E., Reinoso-Martín, C., Schafer, H., García-Ballesteros, C., Ramón-Mayans, J., Spraul, M., García-Conde, J., Pineda-Lucena, A. Serum metabolome analysis by 1H-NMR reveals differences between Chronic Lymphocityc Leukaemia molecular subgroups. Leukemia. 24, pp. 788 - 797. 2010.
Other activities of potential interest to others

• Board member, Spanish Society of Medicinal Chemistry • Coordinator, Clinical Metabolomics Initiative, Conselleria de Sanitat, Generalitat Valenciana • Coordinator, ERA-NET “New Indigo”, TBomics: An omics approach for diagnosing tuberculosis • Reviewer, Marie Sklodowska Curie Actions, Chemistry Panel

Cost UE