Working group 1

Objective: Increase the number of compounds available for the drug research projects that should be screened adopting a coordinated approach (virtually or in phenotypic approaches) to ensure innovation in anti-parasitic drug discovery. Collection and coordination of data and information about compound design.

T1.1 Collection of the compounds libraries usable for screening purposes by the participants and FAIRDOM database recordings. (D1.1)

T1.2 Coordination of compounds libraries available within the Action participants (criteria: no intellectual protection, proper characterization, availability from in house libraries, from ongoing medchem research programs during the Action). The compounds will be open access to all participants to increase the number of compounds for screening purpose. (D1.2);

T1.3 Targets selection, structure-based drug design by advanced modelling/compound docking on available and novel 3D protein structure (X-ray crystallography and cryo EM-electron microscopy); chemoinformatic methods and artificial intelligence (AI) data analysis from HTS technologies (Bayesan models, and others). (D1.3)

T1.4 Compounds biodegradability pattern prediction. This can be performed using in silico tool that can provide insight into the chemical degradation of organic compounds under various environnemental conditions. (D1.4)