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Content archived on 2024-05-07

Structural Biology as a tool for Optimisation of Pharmacologically Active Compounds

Objective



Research objectives and content

The approach towards drug discovery has recently made a change in paradigm as pharmaceutical companies have turned their attention to a purely statistical discovery based on high-throughput screening. Furthermore, to increase the arsenal of chemical entities for screening, chemists have started to develop combinatorial chemistry. The whole process, although remarkably successful, lacks an insight into the structure-activity relationship and advances only in a trial and error manner. We propose to develop methods improving the process by the rational use of the structural information. We will subject the initial hits identified by screening to a detailed conformational analysis. The spatial arrangement of the functional groups a their significance for the interaction with the target receptor will be analysed. The derived information will serve for design of a purpose-made combinatorial library for screening. The structure of the most active members of the library will determined and the derived information fed back to the development procedure. Structural biology will thus guide the screening towards the active molecules by mapping the conformational space accessible to the ligands in the target receptor.

Training content (objective, benefit and expected impact)

The fellowship will enable the trainee to get acquainted with the methods of modern pharmaceutical research and understand the links of the results of basic science with its industrial application. It will provide him instruction in structural biologic methods, access to the most advanced equipment and insight into the process of initial stages of drug discovery. Principal objective is to develop methodologies leading to understanding the molecular mode of action of newly discover pharmaceutically active compounds and to exploit the derived information for conception of improved molecules with desired activities.

Links with industry / industrial relevance (22)

The whole research will be carried in an industrial institute. The developed method will be applicable to many pharmacologically important systems and will be used by the host institution for discovery of new, pharmacologically active molecules and their development into drugs.

Fields of science (EuroSciVoc)

CORDIS classifies projects with EuroSciVoc, a multilingual taxonomy of fields of science, through a semi-automatic process based on NLP techniques. See: The European Science Vocabulary.

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Programme(s)

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Topic(s)

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Call for proposal

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Funding Scheme

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RGI - Research grants (individual fellowships)

Coordinator

Synthelabo Bio-Moleculaire S.A.
EU contribution
No data
Address
Rue d'Ankara
67080 Strasbourg
France

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Total cost

The total costs incurred by this organisation to participate in the project, including direct and indirect costs. This amount is a subset of the overall project budget.

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