AMU, Uzl, KuLeuven, CSIC, GPhL, Pike Pharma, UIBK, UHH, SIMM
Target-directed discovery of antivirals
Type of activity : RTD (Research and technological development including scientific coordination – applicable for collaborative projects and NoEs,).
Lead beneficiary : UzL Person-months : 1127
Start month : 1 End month : 48.
- to discover compounds with antiviral activity (“hits”) against isolated enzymes of dengue virus, one or more enterovirus(es), one paramyxovirus, and one or more emerging virus(es) from another group.
- to optimize the most promising of these hits (as well as those identified by cell-based screening in WP1) through medicinal chemistry (including structure-based synthetic chemistry) and turn them into lead candidates.
- to develop and deploy methods (in particular, for fragment-based design) in X-ray crystallography, STDNMR spectroscopy, and fragment-ligation chemistry.
- to deliver antiviral compounds to WP4 for preliminary evaluation in animal models.
Screening of small libraries containing fragments (<300 Da) of drug-like molecules for binding ability to the target enzyme, and monitored by either X-ray crystallography or STD-NMR.Hit-to-lead optimization by fragment linking or fragment growing to obtain lead candidate drugs.