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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. The Effect of Neighbouring 1- and 2-Adamantyl Group Substitution on the Conformations and Stereodynamics of N-Methylpiperidine. Dynamic NMR Spectroscopy and Molecular Mechanics Calculations. Kolocouris, A.et al. J. Org. Chem. 2001, 66, 4989-4997.

  2. Εther Phospholipid-AZT Conjugates Possessing Anti-HIV and Antitumor Cell Activity. Synthesis, Conformational analysis, and Study of their Thermal Effects on Membrane Bilayers. Mavromoustakos, T.; Calogeropoulou, T.; Koufaki, M.; Kolocouris, A. et al. J. Med. Chem. 2001,44, 1702-1709.

  3. Interaction Between an Amantadine Analog and the Transmembrane Portion of the Influenza A M2 Protein in Liposomes Probed by 1H NMR Spectroscopy of the Ligand. Kolocouris, A. et. al. J. Med. Chem. 2004, 47, 4975-4978.

  4. 19F NMR Trapping of the Complex Between Amantadine and the Receptor Portion of the Influenza A M2 Ion Channel in DPC micelles. Kolocouris, A. et al.Bioorg. Med. Chem. Letters2007, 17, 3799-3813.

  5. Improper hydrogen bonded cyclohexane C-Hax∙∙∙Yax contacts: theoretical predictions and experimental evidence from1Η NMR spectroscopy of suitable axial cyclohexane models. Zervos, N.; Kolocouris, A.; De Proft, F.; Koch, A. J. Org. Chem. 2011, 76, 4432.

  6. Comparisons of the influenza A virus M2 channel binding affinities, anti-influenza A virus potencies and NMDA antagonistic activities of 2-alkyl-2-adamantanes and analogues: Identification of Novel Analogs with Improved Biological Profile. Κolocouris, A. et al. Bioorg. Med. Chem. Letters2008, 18, 6156-6160.

  7. C-Hax∙∙∙Yax Contacts in Cyclohexane Derivatives Revisited – Identification of Improper Hydrogen-Bonded Contacts. Κolocouris. A. J. Org. Chem. 2009, 74, 1842-1849.

  8. Free Energy Calculations Reveal the Origin of Binding Preference for Aminoadamantane Blockers of Influenza A/M2TM Pore. Gkeka, P.; Eleftheratos, S.; Kolocouris, A.; Cournia, Z. J. Chem. Theory Comput.2013, 9, 1272

  9. Aminoadamantanes with Persistent In Vitro Efficacy Against H1N1 (2009) Influenza A. Kolocouris, A. et al. J. Med. Chem.2014, 57, 4629-39.

  10. Interpreting Thermodynamic Profiles of Aminoadamantane Compounds Inhibiting the M2 Proton Channel of Influenza A by Free Energy Calculations. Homeyer, N.; Ioannidis, H.; Kolarov, F.; Gauglitz, G.; Zikos, C.; Kolocouris, A.; Gohlke, H. J. Chem. Inf. Model.2016, 56, 110-26.

  11. Alchemical Free Energy Calculations and Isothermal Titration Calorimetry Measurements of Aminoadamantanes Bound to the Closed State of Influenza A/M2TM. Homeyer, N.; Ioannidis, H.; Kolarov, F.; Gauglitz, G.; Zikos, C.; Kolocouris, A.; Gohlke, H. J. Chem. Inf. Model.2016, 56, 862.



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/