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PhD student

Stefanie is interested in elucidating the molecular determinants for subtype selectivity of GABA transporters (GATs). GATs are relevant drug targets as they are involved in many neurological diseases such as epilepsy. With the help of homology modeling, molecular docking and molecular dynamics simulations Stefanie tries to shed light on the binding mechanism of different GAT inhibitors with a particular focus on a possible new allosteric binding pocket. Her major focus is to understand the molecular interactions that drive subtype selectivity which will ultimately govern the design of new highly selective GAT inhibitors. Moreover, Stefanie is an associate fellow of the MolTag PhD program. MolTag funded her to conduct a six-month internship at Yale University under the supervision of William L. Jorgensen where she worked on finding better OPLS-AA dihedral parameters for aromatic amines attached to pyrazole.

Publications

Showing entries 0 - 5 out of 5

Kickinger S, Hellsberg E, Jain S, Ecker GF. Linked open data: Ligand-transporter interaction profiling and beyond. In Methods in Pharmacology and Toxicology. Humana Press, Inc. 2019. p. 405-417. (Methods in Pharmacology and Toxicology). doi.org/10.1007/7653_2018_13


Damgaard M, Haugaard AS, Kickinger S, Al-Khawaja A, Lie MEK, Ecker G et al. Development of Non-GAT1-Selective Inhibitors: Challenges and Achievements. In Ortega A, Schousboe A, editors, Glial Amino Acid Transporters. Springer. 2017. (Advances in Neurobiology).


Activities

Showing entries 0 - 4 out of 4

Wie hilft der Computer bei der Entdeckung neuer Medikamente?

Stefanie Kickinger , Florentina Troger , Jennifer Hemmerich , Alžběta Türková
Wie hilft der Computer bei der Entdeckung neuer Medikamente?, Seminar/Workshop, Talk or oral contribution
10.7.2019 - 10.7.2019

Elucidating the Molecular determinants for the subtype-selectivity of Betaine/GABA Transporter 1 (BGT1) Inhibitors.

Stefanie Kickinger
Talk or oral contribution
28.4.2018 - 28.4.2018

Wozu brauchen wir Medikamente?

Stefanie Kickinger , Barbara Zdrazil
Kinderuni Wien 2017, Other, Talk or oral contribution
10.7.2017 - 21.7.2017

Exploring a new allosteric binding pocket in the GABA transporter hBGT1

Stefanie Kickinger
11th European Workshop in Drug Design, Seminar/Workshop, Talk or oral contribution
21.5.2017 - 26.5.2017