J. Selent

发表

Molecular modeling and simulation of membrane lipid-mediated effects on GPCRs.

M. Pastor, G. D. Fabritiis, G. de Fabritiis, 2012, Current medicinal chemistry.

Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory

Stefano Vanni, Antonios Kolocouris, Daniel Baum, 2015, The Journal of Membrane Biology.

Membrane-Sensitive Conformational States of Helix 8 in the Metabotropic Glu2 Receptor, a Class C GPCR

M. Pastor, G. de Fabritiis, J. Selent, 2012, PloS one.

Computational Strategies to Incorporate GPCR Complexity in Drug Design

R. Guixà-González, J. Selent, A. Kaczor, 2015 .

Protein-Protein Docking in Drug Design and Discovery.

J. Selent, A. Kaczor, D. Matosiuk, 2018, Methods in molecular biology.

Oligomerization of G protein-coupled receptors: computational methods.

J. Selent, A. Kaczor, J Selent, 2011, Current medicinal chemistry.

Application of BRET for studying G protein-coupled receptors.

J. Selent, M. Makarska-Białokoz, A. Kaczor, 2014, Mini reviews in medicinal chemistry.

Structure-based molecular modeling approaches to GPCR oligomerization.

A. Poso, J. Selent, A. Kaczor, 2013, Methods in Cell Biology.

Development of Fluorescent Probes that Target Serotonin 5-HT2B Receptors

X. García‐Mera, J. Azuaje, M. Loza, 2017, Scientific Reports.

A highly conserved δ‐opioid receptor region determines RGS4 interaction

J. Selent, M. Marti-Solano, Z. Georgoussi, 2020, The FEBS journal.

Application of Biomolecular Simulations to G Protein-Coupled Receptors (GPCRs)

J. Selent, Tomek Stepniewski, Mariona Torrens-Fontanals, 2018, Biomolecular Simulations in Structure-Based Drug Discovery.

A Dynamic View of Molecular Switch Behavior at Serotonin Receptors: Implications for Functional Selectivity

F. Sanz, M. Pastor, J. Selent, 2014, PloS one.

Synthesis, molecular modelling studies and biological evaluation of new oxoeicosanoid receptor 1 agonists.

Y. Stenstrøm, J. Selent, T. Giorgino, 2018, Bioorganic & medicinal chemistry.

Equine Estrogens Impair Nitric Oxide Production and Endothelial Nitric Oxide Synthase Transcription in Human Endothelial Cells Compared With the Natural 17&bgr;-Estradiol

M. Pastor, J. Selent, K. Sandberg, 2010, Hypertension.

The antioxidant resveratrol acts as a non‐selective adenosine receptor agonist

R. Guixà-González, J. Selent, J. L. Albasanz, 2019, Free radical biology & medicine.

Community guidelines for GPCR ligand bias: IUPHAR review 32

David E. Gloriam, Stephen P. H. Alexander, R. Neubig, 2022, British journal of pharmacology.

A Novel Multilevel Statistical Method for the Study of the Relationships between Multireceptorial Binding Affinity Profiles and In Vivo Endpoints

A. Bauer-Mehren, F. Sanz, M. Loza, 2010, Molecular Pharmacology.

Distinct phosphorylation sites in a prototypical GPCR differently orchestrate β-arrestin interaction, trafficking, and signaling

J. Selent, A. Hanyaloglu, A. Shukla, 2020, Science Advances.

Ligand with Two Modes of Interaction with the Dopamine D2 Receptor–An Induced-Fit Mechanism of Insurmountable Antagonism

D. Sibley, F. Ciruela, R. Mach, 2020, ACS chemical neuroscience.

C-edge loops of arrestin function as a membrane anchor

J. Selent, Martha E. Sommer, C. Lally, 2017, Nature Communications.

Entrectinib—A SARS-CoV-2 Inhibitor in Human Lung Tissue (HLT) Cells

J. Selent, M. Waldhoer, J. Grau-Expósito, 2021, International journal of molecular sciences.

Palmitoylation of cysteine 415 of CB1 receptor affects ligand-stimulated internalization and selective interaction with membrane cholesterol and caveolin 1.

E. Dainese, J. Selent, F. Fezza, 2017, Biochimica et biophysica acta. Molecular and cell biology of lipids.

Novel insights on the structural determinants of clozapine and olanzapine multi-target binding profiles.

F. Sanz, M. Loza, J. Brea, 2014, European journal of medicinal chemistry.

In Silico Study of Allosteric Communication Networks in GPCR Signaling Bias

J. Selent, Mariona Torrens-Fontanals, Alejandro Peralta-García, 2022, International journal of molecular sciences.

Role of palmitoylation of cysteine 415 in functional coupling CB1 receptor to Gαi2 protein

E. Dainese, J. Selent, M. Maccarrone, 2018, Biotechnology and applied biochemistry.

Electron Paramagnetic Resonance Gives Evidence for the Presence of Type 1 Gonadotropin-Releasing Hormone Receptor (GnRH-R) in Subdomains of Lipid Rafts

M. Vrecl, R. Guixà-González, J. Selent, 2021, Molecules.

Membrane omega-3 fatty acids modulate the oligomerisation kinetics of adenosine A2A and dopamine D2 receptors

F. Ciruela, F. Sanz, M. Pastor, 2016, Scientific Reports.

Synthesis, 3D‐QSAR, and Structural Modeling of Benzolactam Derivatives with Binding Affinity for the D2 and D3 Receptors

F. Sanz, M. Loza, J. Brea, 2010, ChemMedChem.

Rational design of the survivin/CDK4 complex by combining protein–protein docking and molecular dynamics simulations

Pau Carrió, Jana Selent, Cristian Obiol-Pardo, 2013, Journal of Molecular Modeling.

Simulating G protein-coupled receptors in native-like membranes: from monomers to oligomers.

Juan Manuel Ramírez-Anguita, Jana Selent, Agnieszka A Kaczor, 2013, Methods in cell biology.

Challenges and Opportunities in Drug Discovery of Biased Ligands.

Tomasz Maciej Stepniewski, Jana Selent, Ismael Rodríguez-Espigares, 2018, Methods in molecular biology.

Modeling Complexes of Transmembrane Proteins: Systematic Analysis of ProteinProtein Docking Tools

Ferran Sanz, Jana Selent, Manuel Pastor, 2013, Molecular informatics.

Fractal dimension as a measure of surface roughness of G protein-coupled receptors: implications for structure and function

Pau Carrió, Jana Selent, Cristian Obiol-Pardo, 2012, Journal of Molecular Modeling.

SCoV2-MD: a database for the dynamics of the SARS-CoV-2 proteome and variant impact predictions

R. Guixà-González, J. Selent, T. Giorgino, 2021, Nucleic Acids Res..

Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory

Jeremy C. Smith, H. Hege, D. Wales, 2015, The Journal of Membrane Biology.

MEMBPLUGIN: studying membrane complexity in VMD

Toni Giorgino, Juan Manuel Ramírez-Anguita, Ramon Guixà-González, 2014, Bioinform..

Serotonin 2A receptor disulfide bridge integrity is crucial for ligand binding to different signalling states but not for its homodimerization

M. Loza, J. Brea, M. Cadavid, 2017, European journal of pharmacology.

Performance of virtual screening against GPCR homology models: Impact of template selection and treatment of binding site plasticity

Jens Carlsson, Jana Selent, Mariama Jaiteh, 2020, PLoS Comput. Biol..

GPCRmd uncovers the dynamics of the 3D-GPCRome

Toni Giorgino, Gianni De Fabritiis, David E. Gloriam, 2019, bioRxiv.

Computational methods for studying G protein-coupled receptors (GPCRs).

Dariusz Matosiuk, Jana Selent, Agnieszka A Kaczor, 2016, Methods in cell biology.

Selective Inhibition of the Collagenase Activity of Cathepsin K*

J. Selent, D. Brömme, G. Lalmanach, 2007, Journal of Biological Chemistry.

Oligomerization of G protein-coupled receptors: biochemical and biophysical methods.

J. Selent, A. Kaczor, 2011, Current medicinal chemistry.

Impact of membrane lipid polyunsaturation on dopamine D2 receptor ligand binding and signaling

I. Alves, J. Javitch, S. Mongrand, 2022, bioRxiv.

Structural dynamics bridge the gap between the genetic and functional levels of GPCRs.

D. Gloriam, J. Selent, Tomek Stepniewski, 2021, Current opinion in structural biology.

A molecular sensor for cholesterol in the human serotonin1A receptor

J. Selent, A. Chattopadhyay, P. Sarkar, 2021, Science Advances.

Can molecular dynamics simulations improve the structural accuracy and virtual screening performance of GPCR models?

J. Selent, Jens Carlsson, F. Ballante, 2021, PLoS Comput. Biol..

Discovery of a dual Ras and ARF6 inhibitor from a GPCR endocytosis screen

J. Selent, M. Bouvier, Y. Namkung, 2020, Nature Communications.

Migration mediated by the oxysterol receptor GPR183 depends on arrestin coupling but not receptor internalization

M. Rosenkilde, C. M. Madsen, J. Selent, 2023, Science Signaling.

Effects of palmitoylation of Cys415 in helix 8 of the CB1 cannabinoid receptor on membrane localization and signalling

D. Centonze, V. de Laurenzi, E. Dainese, 2012, British journal of pharmacology.

Tungstate activates BK channels in a β subunit- and Mg2+-dependent manner: relevance for arterial vasodilatation.

M. Pastor, J. Selent, M. Valverde, 2012, Cardiovascular research.

Multi‐Receptor Binding Profile of Clozapine and Olanzapine: A Structural Study Based on the New β2 Adrenergic Receptor Template

Ferran Sanz, Laura López, Jana Selent, 2008, ChemMedChem.

Conformational sensors and domain-swapping reveal structural and functional differences between β-arrestin isoforms

K. Chung, L. Luttrell, R. Guixà-González, 2019, bioRxiv.

Phosphorylation barcodes direct biased chemokine signaling at CXCR3

Chia-Feng Tsai, Tujin Shi, C. Nicora, 2023, bioRxiv.

Key phosphorylation sites in GPCRs orchestrate the contribution of β‐Arrestin 1 in ERK1/2 activation

J. Selent, A. Inoue, S. Laporte, 2020, EMBO reports.

Membrane cholesterol access into a G-protein-coupled receptor

Ferran Sanz, Jana Selent, Manuel Pastor, 2017, Nature Communications.

Sharing Data from Molecular Simulations

Alexandre M. J. J. Bonvin, Helmut Grubmüller, Erik Lindahl, 2019, J. Chem. Inf. Model..

Electronic Sculpting of Ligand-GPCR Subtype Selectivity: The Case of Angiotensin II

T. Crook, J. Selent, M. Tamura, 2014, ACS chemical biology.

Correction: Membrane-Sensitive Conformational States of Helix 8 in the Metabotropic Glu2 Receptor, a Class C GPCR

M. Pastor, G. de Fabritiis, J. Selent, 2012, PLoS ONE.

Plasma membrane preassociation drives β-arrestin coupling to receptors and activation

D. Owen, J. Selent, A. Shukla, 2023, Cell.

Simulating Time-Resolved Dynamics of Biomolecular Systems

J. Selent, Tomek Stepniewski, Mariona Torrens-Fontanals, 2022, Reference Module in Biomedical Sciences.

Multi‐Component Protein – Protein Docking Based Protocol with External Scoring for Modeling Dimers of G Protein‐Coupled Receptors

Stefan Dove, Antti Poso, Pau Carrió, 2015, Molecular informatics.

Dopamine D2 Receptor Agonist Binding Kinetics—Role of a Conserved Serine Residue

J. Selent, H. Zeberg, Tomek Stepniewski, 2021, International journal of molecular sciences.

Synthesis, binding affinity, and molecular docking analysis of new benzofuranone derivatives as potential antipsychotics.

Karen Villalba, F. Sanz, M. Loza, 2008, Journal of medicinal chemistry.

Single-molecule analysis of receptor-β-arrestin interactions in living cells

D. Owen, S. Hill, J. Selent, 2022, bioRxiv.

How Do Molecular Dynamics Data Complement Static Structural Data of GPCRs

Mariona Torrens-Fontanals, Tomasz Maciej Stepniewski, David Aranda-García, 2020, International journal of molecular sciences.

In silico Exploration of the Conformational Universe of GPCRs

Jana Selent, J. Selent, A. Kaczor, 2016, Molecular informatics.

Drugging specific conformational states of GPCRs: challenges and opportunities for computational chemistry.

Peter Kolb, Jana Selent, Denis Schmidt, 2016, Drug discovery today.

Development of Fluorescent Probes that Target Serotonin 5-HT2B Receptors

X. García‐Mera, M. Loza, J. Brea, 2017, Scientific Reports.

Detection of New Biased Agonists for the Serotonin 5-HT2A Receptor: Modeling and Experimental Validation

Ferran Sanz, José Brea, Jana Selent, 2015, Molecular Pharmacology.

Entrectinib - a SARS-CoV-2 inhibitor in Human Lung Tissue (HLT) cells

J. Selent, M. Zimmermann, M. Waldhoer, 2021 .

Induced Effects of Sodium Ions on Dopaminergic G-Protein Coupled Receptors

Gianni De Fabritiis, Ferran Sanz, Manuel Pastor, 2010, PLoS Comput. Biol..

Molecular insights into atypical modes of β-arrestin interaction with seven transmembrane receptors

O. Nureki, K. Chung, J. Selent, 2023, bioRxiv.

Novel insights into biased agonism at G protein-coupled receptors and their potential for drug design.

Ferran Sanz, Jana Selent, Manuel Pastor, 2013, Current pharmaceutical design.

Allosteric modulation of GPCR-induced β-arrestin trafficking and signaling by a synthetic intrabody

D. Devost, J. Selent, T. Hébert, 2022, Nature Communications.

A gain-of-function SNP in TRPC4 cation channel protects against myocardial infarction.

Roberto Elosua, Jana Selent, Manuel Pastor, 2011, Cardiovascular research.

Membrane cholesterol effect on the 5‐HT2A receptor: Insights into the lipid‐induced modulation of an antipsychotic drug target

R. Guixà-González, J. Selent, A. Bruno, 2018, Biotechnology and applied biochemistry.

The European Research Network on Signal Transduction (ERNEST): Toward a Multidimensional Holistic Understanding of G Protein-Coupled Receptor Signaling.

Andrew Tobin, Peter Kolb, Nina Vardjan, 2020, ACS pharmacology & translational science.

Genetically encoded intrabody sensors illuminate structural and functional diversity in GPCR-β-arrestin complexes

J. Selent, M. Bouvier, A. Hanyaloglu, 2019, bioRxiv.

Phosphorylation barcodes direct biased chemokine signaling at CXCR3.

Chia-Feng Tsai, Tujin Shi, C. Nicora, 2023, Cell Chemical Biology.

Sharing Data from Molecular Simulations

Johanna K. S. Tiemann, Daniel G. A. Smith, J. Chodera, 2019, J. Chem. Inf. Model..

Progress in the structural prediction of G protein‐coupled receptors: D3 receptor in complex with eticlopride

Laura López, Jana Selent, Cristian Obiol-Pardo, 2011, Proteins.

Synthesis, binding affinity, and molecular docking analysis of new benzofuranone derivatives as potential antipsychotics.

Karen Villalba, F. Sanz, M. Loza, 2008, Journal of medicinal chemistry.

GPCRmd uncovers the dynamics of the 3D-GPCRome

Toni Giorgino, Davide Provasi, Gianni De Fabritiis, 2020, Nature Methods.

GPCRmd uncovers the dynamics of the 3D-GPCRome

David E. Gloriam, Johanna K. S. Tiemann, J. C. Gómez-Tamayo, 2020 .

Synthesis, binding affinity and SAR of new benzolactam derivatives as dopamine D3 receptor ligands.

F. Sanz, M. Loza, J. Brea, 2009, Bioorganic & medicinal chemistry letters.

G protein-specific mechanisms in the serotonin 5-HT2A receptor regulate psychosis-related effects and memory deficits

J. Brea, J. Selent, Suwipa Saen-oon, 2024, Nature communications.

Pharmacological fingerprint of antipsychotic drugs at the serotonin 5-HT2A receptor.

J. Selent, J. González-Maeso, M. de la Fuente Revenga, 2024, Molecular psychiatry.

Mechanistic insights into dopaminergic and serotonergic neurotransmission – concerted interactions with helices 5 and 6 drive the functional outcome

A. Mancini, J. Selent, M. Bouvier, 2021, Chemical science.

Molecular insights into atypical modes of β-arrestin interaction with seven transmembrane receptors

J. Selent, P. Sarma, Tomek Stepniewski, 2024, Science.

Crosstalk within GPCR heteromers in schizophrenia and Parkinson's disease: physical or just functional?

R. Guixà-González, J. Selent, A. Bruno, 2012, Current medicinal chemistry.

Phosphorylation patterns in the AT1R C-terminal tail specify distinct downstream signaling pathways

H. Rockman, J. Selent, D. Staus, 2024, Science Signaling.

Discovery and characterization of small-molecule TGR5 ligands with agonistic activity

J. Selent, A. Ladurner, Brian Medel-Lacruz, 2024, European Journal of Medicinal Chemistry.

Ligand entry pathways control the chemical space recognized by GPR183

M. Rosenkilde, J. Selent, Tomek Stepniewski, 2023, Chemical science.

A Structural Mechanism for Noncanonical GPCR Signal Transduction in the Hedgehog Pathway

R. Dunbrack, J. Selent, Daniela Bertinetti, 2024, bioRxiv.