Scientific Output

2021 (10 publications so far)

Are insect GPCRs ideal next‐generation pesticides: opportunities and challenges
Necla Birgül Iyison, Aida Shahraki, Kübra Kahveci, Mustafa Barbaros Düzgün, Gökhan Gün
FEBS J. (2021) Jan; DOI: 10.1111/febs.15708
 
BRET- and fluorescence anisotropy-based assays for real-time monitoring of ligand binding to M2 muscarinic acetylcholine receptors
Lukas Grätz, Tõnis Laasfeld, Anni Allikalt, Corinna G.Gruber, Andrea Pegoli, Maris-JohannaTahk, Mari-Liis Tsernant, Max Keller, Ago Rinken
Biochim Biophys Acta Mol Cell Res. (2021) Mar;1868(3):118930; DOI: 10.1016/j.bbamcr.2020.118930
 
Deciphering the Agonist Binding Mechanism to the Adenosine A1 Receptor
Giuseppe Deganutti, Kerry Barkan, Barbara Preti, Michele Leuenberger, Mark Wall, Bruno G. Frenguelli, Martin Lochner, Graham Ladds and Christopher A. Reynolds
ACS Pharmacol. Transl. Sci. (2021) Jan;4, 1, 314–326; DOI: 10.1021/acsptsci.0c00195
 
3,4-Dihydropyrimidin-2(1H)-ones as Antagonists of the Human A2B Adenosine Receptor: Optimization, Structure–Activity Relationship Studies, and Enantiospecific Recognition
María Majellaro, Willem Jespers, Abel Crespo, María J. Núñez, Silvia Novio, Jhonny Azuaje, Rubén Prieto-Díaz, Claudia Gioé, Belma Alispahic, José Brea*, María I. Loza, Manuel Freire-Garabal, Carlota Garcia-Santiago, Carlos Rodríguez-García, Xerardo García-Mera, Olga Caamaño, Christian Fernandez-Masaguer, Javier F. Sardina, Angela Stefanachi, Abdelaziz El Maatougui, Ana Mallo-Abreu, Johan Åqvist, Hugo Gutiérrez-de-Terán, and Eddy Sotelo
Med. Chem. (2021), 64, 1, 458–480; DOI: 10.1021/acs.jmedchem.0c01431

Electron Paramagnetic Resonance Gives Evidence for the Presence of Type 1 Gonadotropin-Releasing Hormone Receptor (GnRH-R) in Subdomains of Lipid Rafts
Tilen Koklič, Alenka Hrovat, Ramon Guixà-González, Ismael Rodríguez-Espigares, Damaris Navio, Robert Frangež, Matjaž Uršič, Valentina Kubale, Ana Plemenitaš, Jana Selent, Marjeta Šentjurc, Milka Vrecl
Molecules. (2021) Feb;26(4):973; DOI: 10.3390/molecules26040973

GPCRdb in 2021: integrating GPCR sequence, structure and function
Albert J Kooistra, Stefan Mordalski, Gáspár Pándy-Szekeres, Mauricio Esguerra, Alibek Mamyrbekov, Christian Munk, György M Keserű, David E Gloriam
Nucleic Acids Res. (2021) Jan 8;49(D1):D335-D343; DOI: 10.1093/nar/gkaa1080

In silico identification of novel 5-HT2A antagonists supported with ligand- and target-based drug design methodologies
Milica Radan, Dusan Ruzic, Mirjana Antonijevic, Teodora Djikic and Katarina Nikolic
J Biomol Struct Dyn. (2021) Mar;39(5):1819-1837; DOI: 10.1080/07391102.2020.1738961

Knowledge-Based Design of Long-Chain Arylpiperazine Derivatives Targeting Multiple Serotonin Receptors as Potential Candidates for Treatment of Autism Spectrum Disorder*
Enza Lacivita, Mauro Niso, Margherita Mastromarino, Andrea Garcia Silva, Cibell Resch, Andre Zeug, María I. Loza, Marián Castro, Evgeni Ponimaskin, and Marcello Leopoldo
ACS Chem. Neurosci.(2021) Publication Date:April 1, 2021: DOI: 10.1021/acschemneuro.0c00647
*Open access paid by COST Action CA18133
 
Structural and Functional Characterization of Allatostatin Receptor Type-C of Thaumetopoea pityocampa, a Potential Target for Next-Generation Pest Control Agents
Aida Shahraki, Ali Işbilir, Berna Dogan, Martin J. Lohse, Serdar Durdagi, and Necla Birgul-Iyison
Chem. Inf. Model. (2021) Jan;61, 2, 715–728; DOI: 10.1021/acs.jcim.0c00985

Synthesis, in silico, and in vitro studies of novel dopamine D2 and D3 receptor ligands
Milica Elek, Nemanja Djokovic, Annika Frank, Slavica Oljacic, Aleksandra Zivkovic, Katarina Nikolic, Holger Stark
Arch Pharm (Weinheim). (2021) Feb 22:e2000486; DOI: 10.1002/ardp.202000486

2020 (18 publications)

Advanced fluorescence microscopy reveals disruption of dynamic CXCR4 dimerization by subpocket-specific inverse agonists*
Ali Işbilir, Jan Möller, Marta Arimont, Vladimir Bobkov, Cristina Perpiñá-Viciano, Carsten Hoffmann, Asuka Inoue, Raimond Heukers, Chris de Graaf, Martine J. Smit, Paolo Annibale, and Martin J. Lohse
PNAS (2020) Nov 117 (46) 29144-29154; DOI: 10.1073/pnas.2013319117
*Open access paid by COST Action CA18133
 
Allosteric interactions via the orthosteric ligand binding sites in a constitutive G-protein-coupled receptor homodimer
Jyrki P Kukkonen
Pharmacol. Res. (2020), 105116; DOI: 10.1016/j.phrs.2020.105116

Biased Ligands Differentially Shape the Conformation of the Extracellular Loop Region in 5-HT2B Receptors
Katrin Denzinger, Trung Ngoc Nguyen, Theresa Noonan, Gerhard Wolber and Marcel Bermudez
Int. J. Mol. Sci. (2020), 21(24), 9728; DOI: 10.3390/ijms21249728

Bicyclic α-Iminophosphonates as High Affinity Imidazoline I2 Receptor Ligands for Alzheimer’s Disease
Sònia Abás, Sergio Rodríguez-Arévalo, Andrea Bagán, Christian Griñán-Ferré, Foteini Vasilopoulou, Iria Brocos-Mosquera, Carolina Muguruza, Belén Pérez, Elies Molins, F. Javier Luque, Pilar Pérez-Lozano, Steven de Jonghe, Dirk Daelemans, Lieve Naesens, José Brea, M. Isabel Loza, Elena Hernández-Hernández, Jesús A. García-Sevilla, M. Julia García-Fuster, Milica Radan, Teodora Djikic, Katarina Nikolic, Mercè Pallàs, Luis F. Callado, and Carmen Escolano

J. Med. Chem. (2020), Mar;63, 7, 3610–3633; DOI: 1021/acs.jmedchem.9b02080

 
Characterization of cancer-related somatic mutations in the adenosine A2B receptor
Xuesong Wang, Willem Jespers, Brandon J Bongers, Maria C C Habben Jansen, Chantal M Stangenberger, Majlen A Dilweg, Hugo Gutiérrez-de-Terán, Adriaan P IJzerman, Laura H Heitman, Gerard J P van Westen
Eur. J. Pharmacol. (2020), 880:173126; DOI: 10.1016/j.ejphar.2020.173126
 
Controlling receptor function from the extracellular vestibule of G-protein coupled receptors
Attila Egyed, Katalin Domány-Kovács, Bence Koványi, Ferenc Horti, Dalma Kurkó, Dóra Judit Kiss, Gáspár Pándy-Szekeres, István Greiner, György M Keserű
Chem Commun (Camb). (2020) Nov;56(91):14167-14170. DOI: 10.1039/d0cc05532h

Critical Impact of Different Conserved Endoplasmic Retention Motifs and Dopamine Receptor Interacting Proteins (DRIPs) on Intracellular Localization and Trafficking of the D2 Dopamine Receptor (D2-R) Isoforms
Kaja Blagotinšek Cokan, Maša Mavri, Catrin Sian Rutland, Sanja Glišić, Milan Senćanski, Milka Vrecl, Valentina Kubale
Biomolecules. (2020) Sep;10(10):1355. DOI: 10.3390/biom10101355

Deciphering Imidazoline Off‐targets by Fishing in the Class A of GPCR field
Teodora Djikic, Jelica Vucicevic, Jonne Laurila, Marco Radi, Nevena Veljkovic, Henri Xhaard, Katarina Nikolic
Mol Inform. (2020) Jul;39(7):e1900165; DOI: 10.1002/minf.201900165
 
The European Research Network on Signal Transduction (ERNEST): Toward a Multidimensional Holistic Understanding of G Protein-Coupled Receptor Signaling*
Martha E. Sommer, Jana Selent Jens Carlsson, Chris De Graaf, David E. Gloriam, Gyorgy M. Keseru, Mickey Kosloff, Stefan Mordalski, Aurelien Rizk, Mette M. Rosenkilde, Eddy Sotelo, Johanna K. S. Tiemann, Andrew Tobin, Nina Vardjan, Maria Waldhoer, Peter Kolb
ACS Pharmacol. Transl. Sci. (2020), epub ahead of print; DOI: 10.1021/acsptsci.0c00024
*Open access paid by COST Action CA18133

GPCRmd uncovers the dynamics of the 3D-GPCRome
Ismael Rodríguez-Espigares, Mariona Torrens-Fontanals, Johanna K S Tiemann, David Aranda-García, Juan Manuel Ramírez-Anguita, Tomasz Maciej Stepniewski, Nathalie Worp, Alejandro Varela-Rial, Adrián Morales-Pastor, Brian Medel-Lacruz, Gáspár Pándy-Szekeres, Eduardo Mayol, Toni Giorgino, Jens Carlsson, Xavier Deupi, Slawomir Filipek, Marta Filizola, José Carlos Gómez-Tamayo, Angel Gonzalez, Hugo Gutiérrez-de-Terán, Mireia Jiménez-Rosés, Willem Jespers, Jon Kapla, George Khelashvili, Peter Kolb, Dorota Latek, Maria Marti-Solano, Pierre Matricon, Minos-Timotheos Matsoukas, Przemyslaw Miszta, Mireia Olivella, Laura Perez-Benito, Davide Provasi, Santiago Ríos, Iván R Torrecillas, Jessica Sallander, Agnieszka Sztyler, Silvana Vasile, Harel Weinstein, Ulrich Zachariae, Peter W Hildebrand, Gianni De Fabritiis, Ferran Sanz, David E Gloriam, Arnau Cordomi, Ramon Guixà-González, Jana Selent
Nat. Methods. (2020), 17(8):777-787; DOI: 10.1038/s41592-020-0884-y

A highly conserved δ-opioid receptor region determines RGS4 interaction
Christos Karoussiotis, Maria Marti‐Solano, Tomasz Maciej Stepniewski, Alexandra Symeonof, Jana Selent, Zafiroula Georgoussi
FEBS J. (2020) Feb;287(4):736-748; DOI: 10.1111/febs.15033

HomolWat: a web server tool to incorporate ‘homologous’ water molecules into GPCR structures*
Eduardo Mayol, Adrián García-Recio, Johanna K S Tiemann, Peter W Hildebrand, Ramon Guixà-González, Mireia Olivella, Arnau Cordomí
Nucleic Acids Res. (2020) Jul 2;48(W1):W54-W59; DOI: 10.1093/nar/gkaa440
*Open access paid for by COST Action CA18133

In silico characterization of adipokinetic hormone receptor and screening for pesticide candidates against stick insect, Carausius morosus
Necla Birgul Iyison, Merve Gizem Sinmaz, Burcin Duan Sahbaz, Aida Shahraki, Busecan Aksoydan, Serdar Durdagi
J Mol Graph Model. (2020) Dec;101:107720; DOI: 10.1016/j.jmgm.2020.107720
 
Methods for Studying Endocytotic Pathways of Herpesvirus Encoded G Protein-Coupled Receptors
Maša Mavri, Katja Spiess, Mette Marie Rosenkilde, Catrin Sian Rutland, Milka Vrecl, Valentina Kubale
Molecules. (2020) Dec;25(23):5710. DOI: 10.3390/molecules25235710

Nitrogen-Walk Approach to Explore Bioisosteric Replacements in a Series of Potent A2B Adenosine Receptor Antagonists
Ana Mallo-Abreu, Rubén Prieto-Díaz, Willem Jespers, Jhonny Azuaje, Maria Majellaro, Carmen Velando, Xerardo García-Mera, Olga Caamaño, José Brea, María I Loza, Hugo Gutiérrez-de-Terán, Eddy Sotelo

Med. Chem. (2020), 63(14):7721-7739; DOI: 10.1021/acs.jmedchem.0c00564

 
Pharmacological Characterization of the Stick Insect Carausius morosus Allatostatin-C Receptor with Its Endogenous Agonist
Ali Işbilir, Burcin Duan Sahbaz, Gunes Tuncgenc, Moritz Bünemann, Martin J. Lohse, and Necla Birgül-Iyison
ACS Omega (2020) Dec, 5, 50, 32183–32194; DOI: 10.1021/acsomega.0c03382

Volatile allosteric antagonists of mosquito odorant receptors inhibit human-host attraction*
Georgia Kythreoti, Nadia Sdralia, Panagiota Tsitoura, Dimitrios P. Papachristos, Antonios Michaelakis, Vasileios Karras, David M. Ruel, Esther Yakir, Jonathan D. Bohbot, Stefan Schulz, Kostas Iatrou
J Biol Chem. (2020) Dec;296:100172. DOI: 10.1074/jbc.RA120.016557
*Open access paid for by COST Action CA18133

X-Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A2A Adenosine Receptor Antagonists
Willem Jespers, Grégory Verdon, Jhonny Azuaje, Maria Majellaro, Henrik Keränen, Xerardo García-Mera, Miles Congreve, Francesca Deflorian, Chris de Graaf, Andrei Zhukov, Andrew S Doré, Jonathan S Mason, Johan Åqvist, Robert M Cooke, Eddy Sotelo, Hugo Gutiérrez-de-Terán
Angew. Chem. Int. Ed. Engl. (2020), Sep 14;59(38):16536-16543; DOI: 10.1002/anie.202003788

2019 (4 publications)

Cartography of rhodopsin-like G protein-coupled receptors across vertebrate genomes
Maiju Rinne, Zia-Ur-Rehman Tanoli, Asifullah Khan, Henri Xhaard
Sci. Rep. (2019), vol 9, Article number: 7058; DOI: 10.1038/s41598-018-33120-8

Computational design and characterization of nanobody-derived peptides that stabilize the active conformation of the β2-adrenergic receptor (β2-AR)
Milan Sencanski, Sanja Glisic, Marko Šnajder, Nevena Veljkovic, Nataša Poklar Ulrih, Janez Mavri, Milka Vrecl
Sci. Rep. (2019), vol 9, Article number: 16555; DOI: 10.1038/s41598-019-52934-8
 
Determinants of Orexin Receptor Binding and Activation—A Molecular Dynamics Study
Lasse Karhu, Aniket Magarkar, Alex Bunker, Henri Xhaard
Phys. Chem. B (2019), 123, 2609−2622; DOI: 10.1021/acs.jpcb.8b10220

Docking Finds GPCR Ligands in Dark Chemical Matter
Flavio Ballante, Axel Rudling, Alexey Zeifman, Andreas Luttens, Duy Duc Vo, John J. Irwin, Jan Kihlberg, Jose Brea, Maria Isabel Loza, Jens Carlsson
Med. Chem. (2019); DOI: 10.1021/acs.jmedchem.9b01560

COST

COST (European Cooperation in Science and Technology) is a funding agency for research and innovation networks. Our Actions help connect research initiatives across Europe and enable scientists to grow their ideas by sharing them with their peers. This boosts their research, career and innovation.

COST Action CA18133

All cells face the vital challenge of sensing their environments and responding in appropriate ways. How are different signalling pathways activated and modulated in precise and reproducible ways? Filling this gap in knowledge is absolutely necessary to advance the next generation of pharmaceutical drugs.

COST Action

COST Action

Pulpit rock

© 2019 ERNEST - All rights reserved. | Design by Boutik

European Research Network on Signal Transduction