Host: VU University Amsterdam, The Netherlands
Academic supervisors: Dr. Jacqueline van Muijlwijk and prof. dr. Iwan de Esch (VU University Amsterdam)
Researcher: Lorena Zara

Download the full description of this project: ESR11: Fragment-based approaches to identify novel PPI inhibitors

FBLD technologies are continuously being improved to capture new opportunities. This project will interrogate emerging antimicrobial targets by fragment hit identification and fragment growing, linking and merging approaches.

Design and synthesise compounds for antimicrobial protein targets, starting from existing hits of fragment library screening. 2. Perform ITC and SPR screening and develop ligand binding models. 3. Develop accurate ligand-­‐protein binding models using X-­‐ray, 15N-­‐NMR data and CADD data (in collaboration with ESR5).

In a joined effort with Zobio, VU University Amsterdam is exploring a couple of antimicrobial targets using FBLD approaches. In this project we will design and synthesize optimized hit fragments and drug-­‐like compounds. Computer-­‐aided drug design will be combined with the synthesis of series of compounds that interrogate the protein targets. Using the biochemical and biophysical screening data that will be generated (amongst others by ESR5), structure-­‐activity relationships, structure-­‐kinetics relationships and structure-­‐thermodynamics relationships will be explored and used to optimize the hit fragments.

Applicants must have a background in medicinal chemistry and have ample experience in computer-­‐aided drug design and the synthesis and characterisation of novel ligands. We are looking for an enthusiastic team player that is eager to collaborate with others.

Key publications
1. Edink et al. J.Am. Chem. Soc. 2011, 133, 5363-5371.
2. De Kloe  J. Med. Chem. 2010, 53, 7192-7201.

Contact details

Please contact us at:

FRAGNET Coordinator
VU University Amsterdam
The Netherlands

Funded by

marie curie actions   Marie Curie Actions



EU Horizon 2020



european union logo   European Union