FRAGNET

Fragnet


Host: VU University Amsterdam, The Netherlands
Academic supervisors: Dr. Maikel Wijtmans and prof. dr. Iwan de Esch (VU University Amsterdam)
Researcher: David Hamilton

 

Download the full description of this project: ESR1: 3D Fragments with small aliphatic rings

Synopsis

At present, ‘flat’ heterocyclic aromatic compounds seem to be overrepresented in fragment libraries. It is being debated if more fragments with 3D character (mainly arising from sp3-­‐ hybridised carbon atoms) should populate the fragment libraries, even though these have higher complexity (and therefore have a lower chance of binding to a target).

Objectives
1. Develop of novel chemistries leading to fragments that contain small aliphatic rings.
2. The identification of 3D fragments that bind to protein targets. ESR13. The hit optimisation of selected hit fragments.

Approach
The aim is the development of focused libraries of small aliphatic rings, e.g., cyclobutyl-­‐containing fragments. Towards this end, new chemistries with stereochemical control of the products will be developed. The resulting fragments have a higher complexity and their potential (e.g., hit rate and optimisation potential) will be explored by the Fragnet consortium. Fragment hits will be identified and used to fine-­‐tune the focused libraries and to obtain optimized tool compounds for Fragnet projects.

Qualifications
Applicants must have experience with modern organic synthesis, including heterocyclic chemistry, parallel chemistry and air-­‐sensitive reactions. In addition, candidates must have experience in purification and analyses (1D-­‐NMR, 2D-­‐NMR, LC-­‐MS, HR-­‐MS, IR) of organic compounds. An interest in medicinal chemistry and its biological context is also a requirement.

Key publications
1. Wijtmans et al. MedChemComm. 2010, 1, 39-44.
2. de Kloe et al. Discov Today. 2009, 14, 630-46.




Contact details

Please contact us at:
info@fragnet.eu

FRAGNET Coordinator
VU University Amsterdam
The Netherlands



Funded by

marie curie actions   Marie Curie Actions

 

 

unnamed   
EU Horizon 2020

 

 

european union logo   European Union