Laboratory of Molecular Neuropharmacology and Bioinformatics



Coordinator: Dr. Jesús Giraldo


- Dr. Jesús Giraldo

- Dr. Jose Manuel López
- Dr. Jordi Ortiz and Dr. Carles Gil


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


3) Effective combinational treatment of chronic pain in individual patients, by an innovative quantitative systems pharmacology pain relief approach

Reference: 848068-2

Principal Investigator WP5: Jesús Giraldo

State of the project: Awarded

Funding Entity: Horizon 2020 Framework Programme

Call: H2020-SC1-2019-Two-Stage-RTD

Participant entitites: Universiteit Leiden; In Silico Biosciences, Inc., PD-value B.V., Concentris Research Management GmbH, Universitat Autònoma de Barcelona, Universitat Pompeu Fabra, Università di Bologna, Université Catholique de Louvain, Stichting Centre for Human Drug Research, Cliniques Universitaires Saint-Luc.

Duration from: 01/01/2020 to: 31/12/2024

Funding amount: 340,875 €





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


· Díaz Ó, Dalton JAR, Giraldo J. Revealing the Mechanism of Agonist-Mediated Cannabinoid Receptor 1 (CB1) Activation and Phospholipid-Mediated Allosteric Modulation. J Med Chem. 2019 Jun 13;62(11):5638-5654. doi: 10.1021/acs.jmedchem.9b00612

· 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.







Ref: SGR 2017-1532