Anna Santura

Position: Research Assistant / PhD Student

Room no.: 02-128

Member of the group since: July 2022

University degree: M. Sc. Biomedical Chemistry

Expertise: Cheminformatics, Biochemistry, Biophysics, ITC

Earlier positions:
– Master Thesis and Research Internship in the group of Prof. T. Schirmeister at JGU
– Research Internship in the group of Prof. D. Schneider at JGU
– Erasmus Internship at the Kaunas University of Technology, Lithuania
– DAAD-funded Research Internship in Nablus, Palestine
– Industry Research Internship in Drug Product Development at AbbVie Germany

Research projects: Knowledge of the pKa value and thus the protonation state of small molecules is crucial in drug discovery, as it influences both pharmacodynamic and pharmacokinetic aspects. Similarly, the protonation state of proteins (macroscopically and microscopically with respect to individual amino acid residues) is a key issue given its significant impact on molecular recognition properties. To elucidate possible pKa value shifts and protonation effects that occur during the binding process between proteins and small molecules (or fragments), I use wet lab techniques (in particular isothermal titration calorimetry, protein crystallography) together with in silico methods (such as Poisson-Boltzmann/Free Energy perturbation calculations) for several target proteins, including endothiapepsin, human carbonic anhydrase II, and protein kinase A.

Hobbies: Hiking, Scouting, Baking, Cooking, Cycling