Research objectives and content
I Discovery of new chemical families active on biochemical fungicidal targets
> To implement a new methodology that could provide new chemical leads in the area of biochemically active compounds by identifying the pharmacophoresknown fungicides and searching for 3D (three dimensions) analogs :
1- Choosing the organic fungicides (up to 4) we want to study (known mode of action).
2- Designing, synthesising and the biochemical testing of structural parts of the molecule to identify the pharmacophore (20 months). 3- 3D modelling of the pharmacophore.
4- Retrieving analogs of this phammacophore in 3D-databases and the screening of these analogs (3 months for the last two parts). The expected benefits are to get bioactive compounds that present better performances than the known compounds i.e. better biological efficacy, better toxicological and/or environmental profile, lower cost... Although 3D analogy approach exists for the discovery of new drugs and was validated in the pharmaceutical industry (see as examples of recent reports 1. Med. Chem. 1995, 38, 3351 and 3566), this approach is novel in the agrochemical field'.
Training content (objective, benefit and expected impact)
> To participate to an applied research project inside a high-level industrial environment
> To increase my knowledge in organic chemistry and biochemistry by working on various types of chemistry appliec io biochemical efficacy. > To leam basic techniques of 3D molecular modelling on the best cquipment available.
Links with industry /industrial relevance (22) I will be hosted in an Industrial Research Laboratory