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In the 8th Annual Congress of International Drug Discovery Science and Technology (IDDST-2010), Beijing, China (October 23-28, 2010) Dr. Agnieszka Kaczor will present our research with the title: Computational Approaches to Prediction of G-protein Coupled Receptors Oligomerization (abstract). In the EFMC-ISMC 2010, 21st International Symposium on Medicinal Chemistry, Brussels, Belgium, September 5-9, 2010 we presented research related to: GPCR oligomerisation “Exploring G-protein coupled receptors oligomerization interface with adaptive Poisson-Boltzmann Solver (APBS)” “Iterative protein-protein docking as a method for modeling G-protein coupled receptor dimers” Allosteric Modulation of GPCRs “Allosteric Modulation of GPCRs. Sodium ions act as fingertip toggling the rotamer switch” Ana-Paula Dantas will present our latest research (HERACLES project) on Functional and structural analysis of NO production by equine and naturally occurring estrogens, in the upcoming WorldPharma2010, 17-23 July,2010, Copenhagen, Denmark (abstract). Ramón Guixà has started his Master thesis related to dimerization of GPCR - a phenomenon with high relevance for schizophrenia (MARATÓ project) (July 2010). Publication accepted in July 2010! “Equine Estrogens Impair Nitric Oxide Production and Endothelial Nitric Oxide Synthase Transcription in Human Endothelial Cells Compared With the Natural 17β-Estradiol” in Hypertension 2010 Two publications accepted in June 2010! “Induced Effects of Sodium Ions Binding on Dopaminergic G-Protein Coupled Receptors” in PLOS Computational Biology 2010 “Synthesis, 3D-QSAR, and Structural Modeling of Benzolactam Derivatives with Binding Affinity for the D2 and D3 Receptors” in ChemMedChem 2010 (pubmed) Oral communication at Trekking through Receptor Chemistry - 28th Camerino-Cyprus-Noordwijkerhout, Camerino, Italy, 16-20 May 2010 (click) Check out job offers Course of Structural Biology starts now (April until June 2010)! (click) Meeting of the Heracles Network in Valencia on January 27th and 28th (click) GRIB celebrates the Annual Retreat on January 27th and 28th |
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© 2010 by Jana Selent |
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Approval of the project “In silico modeling of antipsychotic drug actions towards a paradigm change in antipsychotic drug discovery” which is financed by the La Marató de TV3 Foundation with 126.500 €. (click) Accepted publication in Molecular Pharmacology 2009 “A novel multilevel statistical method for the study of the relationships between multireceptorial binding affinity profiles and in vivo endpoints.” (pubmed) |
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Great News! The honour of the best structural prediction for a dopaminergic G-protein coupled receptor in complex with a small ligand goes to Laura López, Cristian Obiol-Pardo and Jana Selent. Our submitted model has obtained the first position among more than 100 models submitted by several institutions in a world-wide challenge – GPCR DOCK 2010 - organized by the Scripps Institute of California (see figure: predicted in orange and experimental in grey) (click) |
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These results will be also presented in a oral communication: Progresses and challenges in prediction of GPCRs: D3 receptor in complex with eticlopride: at the conference “Membrane Proteins: Structure and Function" in Oxford (6th to Friday 8th April 2011) (click) Just accepted SHORT COMMUNICATION in PROTEINS (February 2011): Obiol-Pardo C, López L, Pastor M, Selent J. Progress in the structural prediction of G protein-coupled receptors: D3 receptor in complex with eticlopride (click). |
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Upcoming talks: CCG/MOE European User Group Meeting 2011, September 27th Opening lecture: Successful prediction of G protein-coupled receptors: The eticlopride– D3 receptor complex. Jana Selent, IMIM/Universitat Pompeu Fabra, Barcelona (click) The Modern Techniques for Drug Design Purposes 2011, 4th October Warsaw, Poland La Marató Project - GPCR Dimers as Drug Target: just accepted reviews! Selent J, and Kaczor A. Approaches to study oligomerization of G protein-coupled receptors. Computational methods. Curr Med Chem. (accepted August 2011) Kaczor A, and Selent J. Approaches to study oligomerization of G protein-coupled receptors. Biochemical and biophysical methods. Curr Med Chem. (accepted August 2011) HERACLES Project - Essential Hypertension: accepted publication in collaboration with the group of Miguel Valverde! Jung C, Gené GG, Tomás M, Plata C, Selent J, Pastor M, Fandos C, Senti M, Lucas G, Elosua R, Valverde MA. A gain-of-function SNP in TRPC4 cation channel protects against myocardial infarction. Cardiovasc Res. (2011) (click) |
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- January 2nd, 2012 - Radio Broadcast on SWR2 (radio frequency 107.85 in Berlin area): In-silico drug discovery, Interview with Dr. Jana Selent by Luise Wagner. “In silico” is an analogue to the Latin phrases “in vivo” and “in vitro” and means "performed on computer or via computer simulation." If you want to know more about how a drug is born and developed in a virtual nanocosmos, listen to this broadcast (in German). |
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- April 2012 - New publications: Kaczor, AA, Guixà-González, R, Carrió, P.; Obiol-Pardo, C.; Pastor, M.; Selent, J: Fractal dimension as a measure of surface roughness of G protein-coupled receptors: implications for structure and function. Mol. Model. 2012, in press. Fernández-Mariño AI, Porras C, González-Rodríguez P, Selent J, Pastor M, Ureña J, CastellanoA, Valverde MA, and Fernández-Fernández JM. Tungstate activates BK channels in a β subunit- and Mg2+-dependent manner: relevance for arterial vasodilation. in Cardiovasc Res. 2012, in press. |
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- March 2012 - Upcoming talk: Internal meeting: “Learning from Individuals & Special Cases: From Chemical Probes and Receptors to Personalized Medicine” Wednesday, March 21, 2012, Marburg, Germany Lecture: Advances in Predicting G Protein-Coupled Receptor Complexes (Jana Selent) |
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- February 2012 - La Marató Project - GPCR Dimers as Drug Targets: New publication! R. Guixà-González, A. Bruno, M. Martí-Solano and J. Selent: Crosstalk within GPCR Heteromers in Schizophrenia and Parkinson's Disease: Physical or Just Functional? in Curr Med Chem, 2012. |