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.
Structural Biology course 2023 has started (link)
The European Research Network on Signal Transduction (ERNEST) has established an Emergency Fund for Ukrainian researchers.
For more information visit this website.
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.
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!
Computational Tools to Study GPCR Signaling:
From the Genomic to the Systems Level
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).
Structural Biology course 2021 has started (link)
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!
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.
COVID-19: First candidates are tested in cell-based assays (see progress)
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
Due to COVID-19, our meeting has been hold online! The program and all recordings can be found here.
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.
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).
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.
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.
Course of Structural Biology at the Pompeu Fabra University starts on January 7th, 2019. Time: 12:00, Location: AULA 61.303.
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.
The GPCR simulation project is presented at the Early Career Scientist Forum on GPCR Signal Transduction (ECSF-GPCR) (click).
The GPCRmd database (www.gpcrmd.org): First structures of the GPCR simulation project are uploaded (click).
Course of Structural Biology at the Pompeu Fabra University starts on January 8th, 2018. Time: 12:00, Location: AULA 61.303.
UPF Course “Drug Research and Development” starts on September 26th, 2017. Time: 17:00, Location: AULA 61.127
Check out the first prototype of GPCRmd here!
The GPCRmd database (www.gpcrmd.org) will be presented at the GLISTEN Symposium in Porto , Portugal, on 29-31 March 2017 (click).
Course of Structural Biology at the Pompeu Fabra University starts on the 9th of January 2017!