ESR 10: Mate Somlyay - 06 October – 04 December 2017

Title: Fragment screening

Host University: AstraZeneca, Sweden

Accommodation:Rented accommodation, Utlandagatan 24, Göteborg

Science: Fragment screening on industrial scale using T2-filter 19F and T1-filter 1H experiments. A library of 768 fluorinated fragments was set up. Based on reference spectra, the compounds were sorted into optimized mixtures avoiding signal overlap. The library was screened against beta-catenin, hits were investigated with competition-based experiments. The sensitivity of 19F and 1H experiments were compared on selected compounds. Protonated analogues of an appropriate hit were selected from a large compound library and tested on the target. Thermal shift assays were set up.

New Skills acquired

Cognitive Skills and Technical Skills

  • Completion of a project in a fast, effective and inexpensive way
  • Working with automated systems including sample preparation, library design, data processing and evaluation
  • Handling of TECAN robot, Bruker SampleJet, IconNMR
  • Time management for a short period of time

Interpersonal Skills

  • Ability to work in industrial environment