Project description
A new chapter in drug discovery
A rapidly evolving area of research is leading to important discoveries. Fragment-based drug discovery (FBDD) is an established approach to discovering drug leads. Taking one step further, the EU-funded Fragment-Screen project will develop innovative instrumentation, workflows and experimental and computational methodologies for FBDD. This will enable access to early-phase structure-based drug discovery for all biological targets and for scientists both in industry and academia. By bringing together scientists and industry partners in scientific instrumentation and computational and AI sectors including SMEs, the project will aim to remove crucial bottlenecks in early-phase drug discovery.
Objective
Fragment-Screen will develop innovative instrumentation, workflows and experimental and computational methodologies for fragment-based drug discovery (FBDD) enabling access to early phase structure-based drug discovery for all biological targets and for scientists both in industry and academia. The established workflows will use structural biology insights and associated data to feed artificial intelligence (AI) methodology to guide medicinal chemistry in drug development. Fragment-Screen brings together scientists from four ESFRI Landmark research infrastructures (RIs): ESRF (the European synchrotron) and the distributed RIs EU-OPENSCREEN ERIC (medicinal chemistry), ELIXIR (data resources for life science) under the coordination of Instruct-ERIC (integrated structural biology) and seven industry partners in scientific instrumentation and computational and AI sectors including SMEs to remove crucial bottlenecks in early phase drug discovery. The new instrumentation and workflows will be available at European RIs, while the new instruments will be commercialised to increase the technological competitiveness of European industry in drug design and the attractiveness of structural biology RIs for the pharmaceutical and biotech sectors. Fragment-Screen will implement open science approaches in early drug discovery to maximise the impact of screening campaigns. Generated data will be made accessible so that iterative cycles applying AI will improve response times for drug discovery. We will create a framework for the objective and independent evaluation of AI in drug design to identify critical developments in this thriving research field. Methodologies for rigorous cross-validation will be established through demonstrator and pilot studies and results will be disseminated to the large scientific communities affiliated to the European RIs and beyond.
Fields of science
- medical and health sciencesbasic medicinepharmacology and pharmacydrug discovery
- medical and health sciencesbasic medicinemedicinal chemistry
- natural sciencesbiological sciencesmolecular biologystructural biology
- natural sciencescomputer and information sciencesartificial intelligencecomputational intelligence
Programme(s)
Funding Scheme
HORIZON-RIA - HORIZON Research and Innovation ActionsCoordinator
OX4 2JY Oxford
United Kingdom
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Participants (19)
69117 Heidelberg
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50121 FIRENZE
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60323 Frankfurt Am Main
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28006 Madrid
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1749 016 Lisbon
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Legal entity other than a subcontractor which is affiliated or legally linked to a participant. The entity carries out work under the conditions laid down in the Grant Agreement, supplies goods or provides services for the action, but did not sign the Grant Agreement. A third party abides by the rules applicable to its related participant under the Grant Agreement with regard to eligibility of costs and control of expenditure.
1749-016 Lisboa
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601 77 Brno
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1066 CX Amsterdam
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3584 CS Utrecht
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38000 Grenoble
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13125 Berlin
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1649-003 Lisboa
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2800 Kongens Lyngby
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LV-1006 Riga
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76275 Ettlingen
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60438 Frankfurt Am Main
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5651 GG Eindhoven
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3800 Grenoble
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38430 Moirans
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The organization defined itself as SME (small and medium-sized enterprise) at the time the Grant Agreement was signed.
Partners (5)
Partner organisations contribute to the implementation of the action, but do not sign the Grant Agreement.
SN2 1FL Swindon
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Partner organisations contribute to the implementation of the action, but do not sign the Grant Agreement.
CB4 0QA Cambridge
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Partner organisations contribute to the implementation of the action, but do not sign the Grant Agreement.
8803 Rueschlikon
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Partner organisations contribute to the implementation of the action, but do not sign the Grant Agreement.
LS2 9JT Leeds
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Partner organisations contribute to the implementation of the action, but do not sign the Grant Agreement.
0X11 0DE Didcot
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