Research groups Molecular Biotechnology Centre (CEBIM)

Molecular Biotechnology Centre (CEBIM)

The activities in the field of bioinformatics within CEBIM are carried out for more than 30 years at the research group of molecular engineering, located at the School of Industrial Engineering of Barcelona.

Research activity falls within the framework of structural biology and computational molecular modeling. Projects carried out in this group include the study of peptides and the design of peptidomimetics; protein flexibility; allosteric modulation of protein; modeling of membrane proteins; drug design; protein engineering.
 

Main projects

  • 1.

    Design of allosteric inhibidors of protein kinases

    A research project funded by the company Allinky Biopharma. The goal of the project is to identify new allosteric sites of kinases in order to discover/design new compounds capable to modulate the kinase activity, looking for selective compounds. Sites are identified from the study of the flexibility of the protein.

  • 2.

    Structure-activity studies of protein coupled receptors G

    Project funded by the Spanish Ministry of Economy and Knowledge.The goal of this study is to establish a robust methodology to construct models of GPCRs by homology modeling. These studies permit to identify important residues for ligand binding both at the orthosteric or allosteric sites to carry out mutagenesis studies. In the long term it will allow to design more selective and potent compounds for this kind of proteins.

Website

Institutions

Bioinformatics expertise:

Group Leader:

Juan Jesús Pérez

Bioinformatics services offered

  • Drug design. Identification of hits

    Drug design and discovery of new hits: We can provide services to the industry in the field of drug discovery. Our methods can be used to help in the discovery and design of new compounds for a specified target.

  • Identifying sites allosteric protein

    Our methods can be used to identify allosteric sites from the study of the flexibility of the protein. These sites have the advantage that are more likely to be protein-selective.

  • Molecular diversity

    Our methods can be useful in the design of molecular libraries. The goal is to select form a set of compounds the smaller number that represents the initial set.

  • Studies protein engineering

    Our methods permit to engineer modifications of known proteins aimed at modifying properties. These modifications can be used to improve the stability of a protein, to modify its function, increase its pharmacokinetic profile among others.