Secretariat Time Programme
12:00 - 13:30


Spyroulias George PDF Print
Tel. :(+302610) 962-350(office), 351-2 (Lab)
Fax : (+302610) 997-693
E-mail: This e-mail address is being protected from spambots. You need JavaScript enabled to view it

Current Focus of Research

• Design/Simulation of bioactive molecules of pharmaceutical interest and Conformational Analysis of biomolecules through Nuclear Magnetic Resonance Spectroscopy (ΝΜR).
• Structural Bioinformatics applied in homology modeling of unknown structures of biomolecules, protein-protein/peptide/substrate 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.


  • Abriata LA, Banci L, Bertini I, Ciofi-Baffoni S, Gkazonis P, Spyroulias GA, Vila AJ, Wang S. Mechanism of Cu(A) assembly. Nat Chem Biol. 4, 599-601 (2008).
  • G. Dalkas, A.Papakyriakou, A. Vlamis-Gardikas, G.A.Spyroulias. Low molecular weight inhibitors of the protease Anthrax Lethal Factor. Mini Rev. Med. Chem. 8, 290-306 (2008).
  • 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)
  • A. Papakyriakou, G.A. Spyroulias, E. Sturrock, E. Manessi-Zoupa, P. Cordopatis. Simulated Interactions between Angiotensin-Converting Enzyme and Substrate Gonadotropin-Releasing Hormone: Novel Insights into Domain-Selectivity. Biochemistry 46, 8753-8765, (2007).
  • Z. Spyranti, G.A. Dalkas, G.A. Spyroulias, E.D. Matzourani, T. Mavromoustakos, I Friligou, T. Tselios, J. Matsoukas. Bioactive Conformations of Cyclic Myelin Basic Protein (MBP) Peptide Analogues: Exploring the Structural Requirements for Experimental Autoimmune Encephalomyelitis (EAE) Reversal. Journal of Medicinal Chemistry 50, 6039-6047 (2007).
  • L. Banci, I. Bertini, S. Ciofi-Baffoni, N.G. Kandias, G.A. Spyroulias, N.J. Robinson, M. Vanarotti, X.-C. Su. The delivery of copper for thylakoid import observed by NMR. Proc. Natl Acad Sci. USA 103, 8320-8325, (2006).
  • P. Galanakis, G.A. Spyroulias, A.K. Rizos, P. Samolis, E. Krambovitis. Conformational Properties of HIV-1 gp120/V3 Immunogenic Domains. Current Medicinal Chemistry, 12, 1551-1568, (2005).
For more information visit the group web site:

Design / Simulation, NMR Spectroscopy & Conformational Analysis of Bioactive compounds