Laboratory of Molecular Neuropharmacology and Bioinformatics

Ref: SGR 2017-1532
Coordinator: Dr. Jesús Giraldo


The group, established in 2014 at the Neuroscience Institute of the Universitat Autònoma de Barcelona, is organized in two branches: computational and experimental pharmacology. The computational branch develops molecular and mathematical modelling of G protein-coupled receptor allosterism, biased agonism and oligomerization. This work is contributing to the design of new molecules, in particular metabotropic glutamate receptor photomodulators, under a mechanism-based perspective. The experimental branch studies the lipidic environment of receptors and obtains evidence of their assembly forming oligomers in tissue and their functional role. The close interaction between these two approaches constitute a powerful strategy of self-feedback to provide solid science of the highest impact and quality for transfer to industry and clinics. Receptor oligomers, in particular metabotropic glutamate, adenosine and dopamine receptors are relevant for the development of treatments for neuropathic pain, schizophrenia, Lesch-Nyhan disease and other neurological and psychiatric disorders.
Active projects:
1) Multidisciplinary approach to the pharmacological complexity of drug targets for neurologic and psychiatric disorders
Reference: (REF. SAF2017-87199-R)
Principal Investigator 1: Jesús Giraldo
Principal Investigator 2: Jordi Ortiz
State of the project: Awarded
Funding Entity: Ministerio de Economía y Competitividad
Participant entities: Universitat Autònoma de Barcelona
Duration from: 01/01/2018 to: 31/12/2020
Funding amount: 100,000 €
2) CIBER Salud Mental (CIBERSAM)
Reference: Grupo Clínico Vinculado GCV16/SAM/1
Principal Investigator: Diego Palao Vidal
State of the project: Awarded
Funding Entity: Instituto de Salud Carlos III
Participant entities: Corporación Sanitaria Parc Taulí and Universidad Autónoma de Barcelona
Duration from: 2017
Funding amount: 6,000 €
ENTITATS FINANÇADORES DELS PROJECTES (si us plau, adjunteu els logotips, si els teniu):
Ministerio de Economía y Competitividad
Instituto de Salud Carlos III
Featured publications:
· Hall DA, Giraldo J. A method for the quantification of biased signalling at constitutively active receptors. Br J Pharmacol 2018;doi:10.1111/bph.14190
· Zhou B, Giraldo J. Quantifying the allosteric interactions within a G-protein-coupled receptor heterodimer. Drug Discov Today 2018;23(1):7-11
· Bruzzese A, Gil C, Dalton JAR, Giraldo J. Structural insights into positive and negative allosteric regulation of a G protein-coupled receptor through protein-lipid interactions. Sci Rep. 2018;8(1):4456. doi: 10.1038/s41598-018-22735-6
· Ma GF, Raivio N, Sabria J, Ortiz J. Agonist and antagonist effects of aripiprazole on D2-like receptors controlling rat brain dopamine synthesis depend on the dopaminergic tone. International Journal of Neuropsychopharmacology 2015; 1-9.
· Yue J, Ben Messaoud N, López JM. Hyperosmotic Shock Engages Two Positive Feedback Loops through Caspase-3-dependent Proteolysis of JNK1-2 and Bid. J Biol Chem. 2015; 290:30375–30389.doi: 10.1074/jbc.M115.660506.