Renal disease

Design and synthesis of bioactive compounds against targets involved in renal disease

Chronic kidney disease (CKD) is a major clinical and socioeconomic problem both globally and in Spain. Given its importance, multiple investigations are trying to deepen the understanding of the physiopathological basis of the disease, to try to identify high-risk populations, implement preventive measures and develop therapeutic strategies capable of alleviating the problem.
In this context, the search and validation of new targets and the strategies to activate or inhibit them using bioactive small molecules through medical chemistry in a multidisciplinary context is an objective of great interest.
Our research is focused on the design and synthesis of new inhibitors of Calpain, PTP1B (Protein Tyrosine Phosphatase 1B), NIK (NF-κB-Inducing Kinase) and ILK (Integrin-linked Kinase) trying to develop the hit-to-lead process, optimizations and candidate search in the preclinical phase.

Docking and molecular dynamics of the calpain inhibitor MMG-1182


Simulation of ILK-parvine interaction

We also address novel preventive or curative strategies for CKD, studying the possibility of delivering high concentrations of drugs and small genetic modulators (miRNAs) to the kidney.

Recent publications:

A Computer-Driven Scaffold-Hopping Approach Generating New PTP1B Inhibitors from the Pyrrolo%1,2-a%quinoxaline Core.
ChemMedChem. 2021, 16, 2895
Pyrrolo%1,2-a%quinoxal-5-inium salts and 4,5-dihydropyrrolo%1,2-a%quinoxalines: Synthesis, activity and computational docking for protein tyrosine phosphatase 1B.
Bioorg Med Chem. 2021, 44, 116295
The pHLIP system as a vehicle for microRNAs in the kidney.
Nefrologia. 2020, 40, 491
NIK as a Druggable Mediator of Tissue Injury.
Trends Mol Med. 2019, 25, 341
MAP3K kinases and kidney injury.
Nefrologia 2019, 39, 568
Discovery of potent calpain inhibitors based on the azolo-imidazolidenone.
Eur J Med Chem. 2018, 157, 946