February 2023
Teaching session at the University of the Basque Country UPV/EHU on Feb 15th
Visualization and analysis of receptor dynamics (download material)
Next GPCR ECI Zoominar on Feb 9th
Click here to join.
Registration for the 8th ERNEST conference is open!
Click here to register.
January 2023
Structural Biology course 2023 has started (link)
March 2022
The European Research Network on Signal Transduction (ERNEST) has established an Emergency Fund for Ukrainian researchers.
For more information visit this website.
January 2022
New online tool for predicting the impact of SARS-CoV-2 mutations on its protein components
Applying our developments to the SARS-CoV-2 pandemic, we succeeded in reconstructing the dynamics of the SARS-CoV-2 proteome. This work has been selected to be a “breakthrough article” by the editorial team of Nucleic Acid Research for the advances in determining variant impact on protein function.
Mariona Torrens-Fontanals, Alejandro Peralta-García, Carmine Talarico, Ramon Guixà-González, Toni Giorgino, Jana Selent, SCoV2-MD: a database for the dynamics of the SARS-CoV-2 proteome and variant impact predictions, Nucleic Acids Research, 2022
Entrectinib—A SARS-CoV-2 Inhibitor in Human Lung Tissue (HLT) Cells
Combined efforts of researchers of our group with InterAx Biotech and the Vall d’Hebron Institut de Recerca have led to the identification of anti-SARS-CoV-2 activity for the FDA-approved drug entrectinib in human lung tissue cells. You can read the full article here.
August 2021
Our recent article has been featured on an inside cover in Chemical Science
Recent data on “A common molecular mechanism regulates the coupling response of monoamine neurotransmitter receptors” is presented at the IUPAC | CCCE 2021 (August 13 – 20, 2021)
Check out our new discoveries about neurotransmission!
June 2021
Computational Tools to Study GPCR Signaling:
From the Genomic to the Systems Level
February 2021
Recent updates: Our COVID research in collaboration with InterAx yields 3 promising drug candidates that inhibit cell entry of SARS-CoV-2 (see project progress).
January 2021
Structural Biology course 2021 has started (link)
September 2020
A secret code regulating the cell behaviour
Check out our new paper in Science Advances.
GPCRmd (www.gpcrmd.org) contributes to the fight against the COVID-19 pandemic within the framework of Exscalate4COV by applying their expertise to develop a web platform for the dissemination of molecular dynamics simulations for SARS-CoV-2 related proteins. For that, it provides a collection of online tools to easily visualize, analyze and share such data.
Stay tuned! It will be soon online!
July 2020
Thanks to the GPCRmd community for the efforts and contribution! Our paper “GPCRmd uncovers the dynamics of the 3D-GPCRome” is now online in Nature Methods.
You can read about the story behind our paper here.
June 2020
COVID-19: First candidates are tested in cell-based assays (see progress)
April 2020
COVID-19: Follow the progress of our project “Dual strategy for inhibiting the infectious cycle of SARS-CoV2 – Project Progress”
Check out the lastest update of GPCRmd: GPCRmd is an online platform with web-based visualization capabilities and a comprehensive analysis toolbox that allows scientists from any discipline to visualize, inspect, and analyse GPCR molecular dynamics.
New publication in ACS Pharmacol. Transl. Sci. 2020 highlights the objectives of ERNEST: The European Research Network on Signal Transduction (ERNEST): Toward a Multidimensional Holistic Understanding of G Protein-Coupled Receptor Signaling
March 2020
Due to COVID-19, our meeting has been hold online! The program and all recordings can be found here.
October 2019
September 2019
This study provides strong evidence that distinct activation states of beta-arrestin are key for different functional outcomes.
Within this study, molecular simulations reveal at an all-atom level the impact of different activation states of beta-arrestin on the recognition of Fab30. We find that smaller interdomain rotation angles (lower than 11.1 degrees) result in instability of the beta-arrestin-Fab30 complex (measured as RMSD – right panel). Such complex instability is due to clashes between the N-domain (red surface) and the Fab30 (green surface) which are induced by interdomain rotation.
July 2019
New insights into A highly conserved δ-opioid receptor region determines RGS4 interaction has been obtained in close collaboration with Dr. Zafiroula Georgoussi (accepted in FEBS).
Molecular dynamics simulations and mutagenesis studies defined two critical residues governing RGS4-δ-opioid receptor (δ-ΟR) interaction: one between Phe329 of helix 8 of δ-ΟR and Pro9 of the N-terminal region of RGS4, and another between Glu323 of δ-ΟR and Lys17 of RGS4. The high degree of conservation among opioid receptors points to a conserved interaction mode between opioid receptors and RGS4 and allows drafting a model of a ternary complex of δ-OR-Giα-RGS4.
June 2019
Recent findings on the “Functional Dynamics of Visual Arrestin” are presented in the EMBO Workshop in Nové Hrady. This work is done in close collaboration with Dr. Martha Sommer from the Charité Berlin.
March 2019
The European Research Network on Signal Transduction (ERNEST) will focus on elucidating how transmembrane signal transduction networks function on the molecular, cellular and physiological level.
Just accepted manuscript in Free Radical Biology and Medicine: “The antioxidant resveratrol acts as a non-selective adenosine receptor agonist” in collaboration with José Luis Albasanz and Mairena Martín from the Universidad de Castilla-La Mancha.
January 2019
Course of Structural Biology at the Pompeu Fabra University starts on January 7th, 2019. Time: 12:00, Location: AULA 61.303.
September 2018
Course of Introduction to Drug Research and Development at the Pompeu Fabra University starts on September 25th, 2018 at 17:00, Location: AULA 61.206.
July 2018
The GPCR simulation project is presented at the Early Career Scientist Forum on GPCR Signal Transduction (ECSF-GPCR) (click).
March 2018
The GPCRmd database (www.gpcrmd.org): First structures of the GPCR simulation project are uploaded (click).
January 2018
Course of Structural Biology at the Pompeu Fabra University starts on January 8th, 2018. Time: 12:00, Location: AULA 61.303.
September 2017
UPF Course “Drug Research and Development” starts on September 26th, 2017. Time: 17:00, Location: AULA 61.127
June 2017
Check out the first prototype of GPCRmd here!
March 2017
The GPCRmd database (www.gpcrmd.org) will be presented at the GLISTEN Symposium in Porto , Portugal, on 29-31 March 2017 (click).
February 2017
January 2017
Course of Structural Biology at the Pompeu Fabra University starts on the 9th of January 2017!
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