Finding the key to drug specificity - In-silico investigation of conserved water molecules in the whole human kinome using a novel molecular dynamics simulation pipeline
Leon Obendorf
Information for students
Information on registering for X-Student Research Groups can be found on the Berlin University Alliance website.
Participation in an X-Student Research Group can be credited in the interdisciplinary compulsory elective area (üWP) / in the free elective area / in the compulsory elective area / in the study area Allemeine Berufsvorbereitung (ABV). In addition, upon individual application, credit can be awarded for other structural areas in Bachelor's and Master's degree programs.
Module description: https://www.berlin-university-alliance.de/commitments/teaching-learning/sturop/research-groups/information/Modulbeschreibung_StuROPx_X-SRG_6LP.pdf
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Kinases play a crucial role in cell regulation and are potential targets for the development of new drugs against severe diseases such as cancer or cardiovascular diseases. This course aims to investigate kinase inhibitors that utilize specific water networks within the ATP binding pockets.
Students will conduct computational molecular dynamics simulations to assess the stability and dynamics of these water networks across the human kinases. Other methods are reporter gene assays to analyze kinase signaling. The aim is to identify kinases with unique water binding properties that could be exploited for targeted drug development. A second aim is to explain why certain drugs may show specificity for certain kinases.
The course is designed for Bachelor’s and Master’s students with a background in natural sciences, particularly in biology, pharmacy, chemistry, bioinformatics, computer science or related fields. Prior knowledge is not mandatory.
Institutional affiliation: Fachbereich Biologie, Chemie, Pharmazie, Institut für Chemie und Biochemie
Contact: leon.obendorf@fu-berlin.de
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Regular appointments