Drug Design and Synthesis

Group: Drug Design and Synthesis


Registry number: G20/5-12

School/Centre: PHARMACY


  • De Pascual-Teresa Fernández, Beatriz (Main researcher)
  • Ramos González, Ana María
  • Zapico Rodríguez, José María
  • Coderch Boué, Claire
  • Ortín Remón, Irene

Research thematic areas:

  • Development of dual CK2/HDAC inhibitors
  • Development of PROTACs (proteolysis-targeting chimeras), drugs aimed at tumors, and catheters for detection and treatment of cancer 
  • Development of  MMP inhibitors (Matrix metalloproteinase)

UNESCO Code: 239001


Molecular Modelling, Organic Synthesis, HDAC, CK2, MMPs, PET, PROTAC, Tumor-targeted Ligands

Relevant characteristics of the research group (description of the group's activity):

The research group works in the design, synthesis and biological assessment of pharmacologically active compounds opposite to different pharmacological targets related to cancer, such as DNA; kinases involved in the cell cycle such as CDK2; proangiogenic peptides such as adrenomedullin and PAMP and Estrogen Receptors.

The design is carried out through the use of different computational tools such as auto-docking, and molecular dynamics. The designed compounds are synthetised and enzymatic inhibition and celular proliferation in different tumor cell lines trials are carried out. The affinity for its target is studied by physiochemical methods (SPR, ITC microcalorimetry) and NRM experiments based on the ligand (STD, WaterLOGSY). It is a cyclical process to be able to establish a structure-activity relation in each of the compounds.

In the last years, our work has focused on metalloproteinase inhibitors of the MMP matrix and other kinese, the CK2 as well as the synergy between MMP2 and CK2. More recently, we have also focused on the development of multi-target inhibitors involving different enzymes such as CK2 and HDAC.

We are also currently working on the development of PROTACs, tumour-targeted drugs, and catheters for tumour detection (fluorescent and PET).

We collaborate with other national and international groups in the design and synthesis of ligands directed to other targets such as an RNA recognition domain, CIRBP and RBM3, for the treatment of ocular damage, as well as modulators of the activity of PTPRZ1 and PTPRG proteases, related to neurodegenerative diseases and prevention of alcohol abuse.

Contact: [email protected]

Equipo de investigación