Research Profile for Spyroulias Georgios

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Spyroulias G.A.
Department of Pharmacy
Research Activity
Biomolecular Simulations, NMR Spectroscopy, Protein expression/purification, Protein/peptide Structure, Computational & Structural Biology, Molecular Dynamics, Docking Simulations & Virtual Screening, Structural Bioinformatics
Design/Simulation and Engineering of Bioactive Molecules, such as peptide hormones and peptide epitopes.
Structure-Activity Relationship by NMR and Solution Conformational Analysis of Biomolecules and Biomolecular Complexes, such as metalloproteins, metal-binding peptides, protein/peptide-peptide complexes etc.
Structural Bioinformatics applied in homology modelling of unknown structures of biomolecules, protein-protein/peptides/subtrate interaction through molecular dynamics simulation, docking simulation protocols, in silico design and development of combinatorial libraries of compounds and virtual screening process towards the quest of lead-molecules with biological activity towards protein/enzyme targets, etc.
Protein overexpression/purification and labelling (15N, 13C) for NMR structural studies.
Research Infrastructure
Georgios A. Spyroulias, Assistant Professor
Dr. Christos Chasapis, Post-Doc
Dr. Athanassios Papakyriakou, Research Associate (NCSR "Demokritos")
6 MSc & PhD Students
Established Equipment/Software
1) Computational Systems for Biomolecular Simulations.
2) Software for NMR data processing & Analysis and
protein/peptide structure calculation, analysis and validation.
3) Equipment for Protein expression and purification for structural studies.

Equipment/Infrastructure that will enhance competitiveness
1) High-field NMR Spectrometers (600-800 MHz)
2) Analytical instruments (Mass Spectrometer, UV-vis, Light Scattering etc).
3) Facilities/Equipment for large-scale protein production
Research Activities
1) ‘Enhancing Access and Services To East European users towards an efficient and coordinated pan-European pool of NMR capacities to enable global collaborative research and boost technological advancements (EAST-NMR)’ 2009-2013, FP7-2008-INFRASTRUCTURE, EU.
2) ‘Neurotrasmitter Cys-loop receptors: structure, function and disease (NeuroCypres)’
2008-2012, FP7-HEALTH-2007, EU.
3) ‘NMR Structural Study of HDM2 & HDMX Ring Finger Domains, regulators of tumor-suppressor protein p53’
2007-2010, “K. Karatheodori” Research Grant, University of Patras, GREECE
4) ‘Applied Venomics of the Cone Snail Species Conus Consors for the Accelerated, Cheaper, Safer and More Ethical Production of Innovative Biomedical Drugs (CONCO)’
2007-2011, FP6-LIFESHEALTH-2005-1.2.5-2, EU.
5) ‘Design, Evolution and Therapeutic Development of New Biomolecules’
2006 – 2008, Operational Programme of Western Greece, GSRT, Greek Ministry of Development, GREECE.
1) Dalkas GA, Chasapis CT, Gkazonis PV, Bentrop D, Spyroulias GA. Conformational dynamics of the anthrax lethal factor catalytic center. Biochemistry 49, 10767-9 (2010).
2) Dimitropoulos N, Papakyriakou A, Dalkas GA, Chasapis CT, Poulas K, Spyroulias GA. A computational investigation on the role of glycosylation in the binding of alpha1 nicotinic acetylcholine receptor with two alpha-neurotoxins. Proteins 79, 142-52 (2011).
3) Chasapis CT, Spyroulias GA. RING finger E3 ubiquitin ligases: structure and drug discovery. Curr Pharm Des. 15, 3716-31 (2009).
4) Dalkas GA, Papakyriakou A, Vlamis-Gardikas A, Spyroulias GA. Insights into the anthrax lethal factor-substrate interaction and selectivity using docking and molecular dynamics simulations. Protein Sci. 18, 1774-85 (2009)
5) Kandias NG, Chasapis CT, Bentrop D, Episkopou V, Spyroulias GA. High yield expression and NMR characterization of Arkadia E3 ubiquitin ligase RING-H2 finger domain. Biochem Biophys Res Commun. 378, 498-502 (2009)
6)Abriata LA, Banci L, Bertini I, Ciofi-Baffoni S, Gkazonis P, Spyroulias GA, Vila AJ, Wang S. Mechanism of Cu(A) assembly. Nature Chem Biol. 4, 599-601 (2008)
7) Fousteris MA, Papakyriakou A, Koutsourea A, Manioudaki M, Lampropoulou E, Papadimitriou E, Spyroulias GA, Nikolaropoulos SS. Pyrrolo[2,3-a]carbazoles as Potential Cyclin Dependent Kinase 1 (CDK1) Inhibitors. Synthesis, Biological Evaluation, and Binding Mode through Docking Simulations. J Med Chem. 51, 1048-1052 (2008).
8) Papakyriakou A, Spyroulias GA, Sturrock E, Manessi-Zoupa E, Cordopatis P. Simulated Interactions between Angiotensin-Converting Enzyme and Substrate Gonadotropin-Releasing Hormone: Novel Insights into Domain-Selectivity. Biochemistry 46, 8753-8765, (2007).
9) Spyranti Z, Dalkas GA, Spyroulias GA, Matzourani ED, Mavromoustakos T, Friligou I, Tselios T. Bioactive Conformations of Cyclic Myelin Basic Protein (MBP) Peptide Analogues: Exploring the Structural Requirements for Experimental Autoimmune Encephalomyelitis (EAE) Reversal. J Med Chem. 50, 6039-6047 (2007).
10) Banci L, Ciofi-Baffoni S, Bertini I, Kandias NG, Robinson NJ, Spyroulias GA, Su X-C, Vanarotti M. The delivery of thylakoid-copper observed by protein NMR. Proc Natl Acad Sci. USA 103, 8320-8325 (2006).
1) Center of Magnetic Resonance (CERM), Polo Scientifico - University of Florence, ITALY.
2) Department of Physiology II , University of Freiburg, GERMANY.
3) Institut de Génétique et de Biologie Moléculaire et Cellulaire (IGBMC), Ecole Superieure de Biotechnologie de Strasbourg, FRANCE.
4) Imperial College Medical School, South Kensington Campus, London, UNITED KINGDOM.
5) Institute of Infectious Disease and Molecular Medicine, University of Cape Town, SOUTH AFRICA.
6) Chemistry & Chemical Biology, Biomedical Engineering, Rutgers University, New York, USA.
7) NCSR "Demokritos" Ag. Paraskevi Attikis, GREECE
Additional Information