Προκήρυξη:

A research leading to a PhD thesis entitled "Biophysical studies of influenza A/M2 protein membrane system in complex with inhibitors" is announced to be held under the supervision of Associate Professor A. Kolocouris. 

The candidate will be exposed to two or more of a consortium of techniques like peptide synthesis, MD simulations, x-ray crystallography of the complexes and biophysics of the membrane receptor system like ssNMR and SAXS in collaboration with different labs.

The candidate should have a Master's degree in a relevant field (organic chemistry, computational biochemistry, computational medicinal chemistry) which will allow to enter directly to the PhD research level. To enter the PhD directly from BSc cycle the candidate should be a pharmacist with a BSc degree grade at least 8.5.

Contact: Antonios Kolocouris, Associate Professor of Medicinal and Organic Chemistry, Faculty of Pharmacy, Department of Pharmaceutical Chemistry, NKUA, e-mail: ankol@pharm.uoa.gr

The projects can include:
A) Organic synthesis of bioactive compounds against influenza A and herpes simplex viruses and peptides corresponding to influenza A/M2TM (22-46) using solid phase peptide synthesis (in collaboration). Drug targets include influenza A/M2TM receptor and adenosine receptor.
B) Biomolecular simulations (Docking and scoring, virtual screening, MD and FEP/MD simulations etc).
C) NMR spectroscopy for studying: (a) The interactions between ligands and their receptor using 19F NMR spectroscopy in micelles (in collaboration). (b) The conformational properties and the structure of ligands (1D or 2D NMR spectra, Dynamic NMR Spectroscopy etc).
D) Biophysical chemistry of ligands and M2TM receptor in lipid bilayers (solid state NMR spectroscopy, SAXS in collaboration).
E) Computational organic chemistry. Ab initio and DFT calculations of weak intramolecular interactions, organic reaction mechanisms.
Students can be trained to one or more of the above techniques according to their specific interests, skills and enthusiasm.

In addition short diploma projects can be included in a project including for example:
a) The synthesis of aminoadamantane derivatives as potential anti-influenza A agents.
b) Docking of aminoadamantane derivatives to M2TM. MD simulations for optimization of docking poses.

Students can apply for fellowships to stay for some period in a collaborative lab in Europe. The can also choose a project in collaboration with Professor Thomas Mavromoustakos (http://users.uoa.gr/~tmavrom/) for collaborative work in NMR spectroscopy and/or Biophysical Chemistry.