Research groups Laboratory of Systems Pharmacology and Bioinformatics (LSPB)

Laboratory of Systems Pharmacology and Bioinformatics (LSPB)

The Laboratory of Systems Pharmacology and Bioinformatics is an interdisciplinary team composed of chemists, biologists and mathematicians. We follow an integrative approach including molecular and mathematical models.

  • Molecular modeling and dynamics simulations of GPCRs. Our objective is to provide a better understanding of the molecular mechanisms associated with the complexity of receptor structure and function, in particular receptor homo- and heteromerization, allosteric modulation, receptor constitutive activity and functional selectivity. State-of-the-art in silico techniques include receptor homology modeling, induced-fit docking, protein-protein interactions and molecular dynamics simulations.
  • Mathematical modeling of GPCRs. Our objective is to construct mathematical models both mechanistic and in the framework of the operational model of agonism and allosterism.
  • Computer science, bioinformatics and biostatistics. Our objective is the construction of new bioinformatics tools for more rigorous and efficient data analysis. These tools include evolutionary optimization algorithms, machine learning methods, data mining and big data analysis.

 

Main projects

  • 1.

    Integrated mathematical, computational and biochemical investigation of the crosstalk between metabotropic glutamate receptor 5 and dopamine D2 receptor

    Relevance for the treatment of schizophrenia. Ref.MINECO SAF2014-58396-R. Period 2015 - 2017.

  • 2.

    Deciphering the role of peripheral and central nervous system metabotropic glutamate receptors in neuropathic pain with photoactivable ligands

    ERA-NET NEURON Call for transnational research projects 2012. Ref. PCIN-2013-018-C03-02. Period 2013 - 2016.

  • 3.

    Validation of mGlu4 as a therapeutic target for multipotential treatment of spinal cord injury

    Fundació La Marató de TV3, Ref. 110230 2010.

Website

Institutions

Bioinformatics expertise:

Group Leader:

Jesús Giraldo

Bioinformatics services offered