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Antonios Kolocouris

Associate Professor, Department of Pharmaceutical Chemistry

 Research web page



  • Degree in chemistry (1989). 
  • Ph. D in synthetic medicinal chemistry (1995). 
  • Postdoctoral research in synthetic medicinal chemistry (1/1997-7/1997), NOE-based conformational analysis of bioactive peptides (NMR spectroscopy, molecular dynamics simulations with CHARMM, 1997-2000). 
  • Research appointments (Dynamic NMR spectroscopy, 9/1999 - NMR spectroscopy of drug-receptor interactions, 7/2002, 2/2004 - Biomolecular simulations of drug-receptor interactions 10/2008, 10/2009, 11/2010, 10/2012).

Current Research Interests

  • Design and synthesis of ion-channel blockers targeting influenza A, structure-activity relationships (publ. Νο 6, 9) 
  • Drugs-receptor interactions: biomolecular simulations, NMR spectroscopy of drug-receptor system (publ. Νο 8-11, 1, 3, 4). 
  • Dynamic NMR spectroscopy, conformational models (NMR and ab initio calculations) (publ. Νο 1, 5, 7). 
  • Computational organic chemistry (DFT calculations of reactions mechanisms).

Distinctions  - Fellowships

  • Post-doctoral fellowship from the State Scholarship Foundation (1999-2000).
  • Research Fellowship from the British Royal Society (2002).
  • Research Fellowship from the British Society (2004).

 List of recent publications

  1. Assessing the attractive/repulsive force balance in axial cyclohexane C-Hax ···Yax contacts: A combined computational analysis in monosubstituted cyclohexanes. Silva Lopez, C.; Nieto Faza, O.; De Proft, F.; Kolocouris, AJ. Comput. Chem. 201637, 2647-2658.
  2. Binding and Proton Blockage by Amantadine Variants of the Influenza M2WT and M2S31N Explained. Tzitzoglaki, C.; Wright, A.; Freudenberger, K.; Hoffmann, A.; Tietjen, I.; Stylianakis, I.; Kolarov, F.; Fedida, D.; Schmidtke, M.; Gauglitz, G.; Cross, T. A.; Kolocouris, A. J. Med. Chem. 201760, 1716-1733.
  3. Governing effects in the mechanism of the gold-catalyzed cycloisomerization of allenic hydroxylamine derivatives. Kiriakidi, S.; Nieto Faza, O.; Kolocouris, A.; López, C.S. Org. Biomol. Chem. 201715, 5920-5926.
  4. Affinity of Rimantadine Enantiomers against Influenza A/M2 Protein Revisited. Drakopoulos, A.; Tzitzoglaki, C.; Ma, C.; Freudenberger, K.; Hoffmann, A.; Hu, Y.; Gauglitz, G.; Schmidtke, M.; Wang, J.; Kolocouris, A. ACS Med. Chem. Lett. 20178, 145-150.
  5. Unraveling the Binding, Proton Blockage, and Inhibition of Influenza M2 WT and S31N by Rimantadine Variants. Drakopoulos, A.; Tzitzoglaki, C.; McGuire, K.; Hoffmann, A.; Konstantinidi, A.; Kolokouris, D.; Ma, C.; Freudenberger, K.; Hutterer, J.; Gauglitz, G.; Wang, J.; Schmidtke, M.; Busath, D. D.; Kolocouris, A. ACS Med. Chem. Lett. 20189, 198-203.
  6. Discovery of Novel Adenosine Receptor Antagonists through a Combined Structure- and Ligand-Based Approach Followed by Molecular Dynamics Investigation of Ligand Binding Mode. Lagarias, P.; Vrontaki, E.; Lambrinidis, G.; D.; Convertino, M.; Ortore, G.; Mavromoustakos, T.; Klotz, K.N.; Kolocouris, A. J. Chem. Inf. Model. 2018 Mar 19. doi: 10.1021/acs.jcim.7b00455. [Epub ahead of print]




Dr Antonios Kolocouris, Assistant Professor
Department of Medicinal Chemistry, Faculty of Pharmacy                          
National and Kapodistrian University of Athens
Panepistimioupolis Zografou, Athens, 15 771
Tel: 210-727-4834,  Fax: 210-727-4747

E-mail: ankol[at]pharm.uoa[dot]gr

Web page:http://users.uoa.gr/~ankol/