Mots-Clés

3D pharmacophore and docking techniques, screening of chemolibraries, R and/or python knowledge

Description

Background and Objectives of the Proposal:

The World Health Organization (WHO) has designated six 'ESKAPE' pathogens as critical targets for drug discovery. These highly virulent and antibiotic-resistant bacterial pathogens are the leading cause of nosocomial infections worldwide. Bacteria have evolved various mechanisms to resist the inhibitory effects of antibiotics. To combat this, we need new classes of antibiotics, especially those targeting new mechanisms.

The current project aims to design new antimicrobial molecules targeting trans-translation in multi-resistant pathogenic bacteria. An in silico screening of the CERMN chemolibrary will be conducted by the candidate to identify new promising compounds. To achieve this, the candidate will build a 3D pharmacophore and apply docking strategies. The in silico techniques will then be used to guide the pharmacomodulation of the initial hit(s).

Missions:

• 3D structure analysis
• 3D pharmacophore and docking techniques, screening of chemolibraries
• Molecular dynamics
• Preparation/writing of publications, posters, oral communication
• Mentoring and supervising students

Qualification Requirements:

• Experience with molecular modeling strategies: pharmacophore, docking, molecular dynamics
• Good knowledge of R and/or Python

Required Degree and Experience:

• A PhD in biophysics, bioinformatics, or cheminformatics
• Postdoc experience in the molecular modeling domain would be a plus