Mots-Clés

modélisation moléculaire chémoinformatique docking 3D-QSAR

Description

The ICOA (Institute of Organic and Analytical Chemistry), located in the heart of the campus of the University of Orléans, gathers more that 120 persons, including researchers, post-doctoral researchers, PhD students, engineers, technicians, and administrative staff. Activities of the research center are focused on the chemical sciences of bioactive molecules. The main objective of our research activities is to discover novel bioactive molecules having potential applications as drugs, imaging/mechanistic probes or as components of cosmetic formulations.

The post-doctoral position is open in the Structural Bioinformatics and Chemoinformatics (SB&C) team led by Pr. Pascal Bonnet. The SB&C team develops and applies new in silico methods in the aim of understanding and designing molecular structures and their interactions with biomolecular entities and also to design new innovative and active compounds in the fields of therapeutic innovation, cosmetics and analytical chemistry.

The recruited post-doc will be involved in the ANR project Fluox2C, that gathers chemical synthesis partners from the ICR lab and biologist partners from UVE lab in Marseille. The objective of the project is to develop potent broad-spectrum antivirals to treat Enterovirus infections and severe related disorders. A primary active compound has been identified based on the results of a drug-repurposing screen. By combining the expertise of the partners, we aim to optimize this primary compound toward innovative chemical series with new mode of action. The molecular modeling part of this project is especially focused on the design of derivatives of the primary compound by the used of structure-based methodologies. An expertise in docking experiments and in protein-ligand interactions are required, as well as knowledges in programming.

Profile requirements

• PhD in bioinformatics or chemoinformatics
• Good skills in molecular modeling and structural bioinformatics, especially in molecular docking and 3D-QSAR modeling
• Proficiency with at least one programming language (python preferably)
• Knowledge in Linux environment