Working group 2

Objectives: Obtain new compounds from different sources and study those compound in vitro for profiling and selection for advances in the process.

T2.1 Synthesis of compounds designed using advanced medicinal chemistry strategies will be applied (diversity-oriented-synthesis library, microwave and flow chemistry other than application of the principles of green chemistry for the compounds synthesis. (D2.1)

T2.2 Natural compounds from different sources, their fractionation, characterization. Compounds from waste organic materials (hemp, hives, frass from different insects).

T2.3 HTS screening of library from WG1 and T2.2 to evaluate ADME-Tox properties, biological data from assays panels. Compounds metabolic degradation analysis. All data are included in FAIRDOM database. Connection with the international database CDD Vault50 will be established (D2.3).

T2.4 Coordination of different medicinal chemistry technologies: degradome PROTAC-like studies, repurposing, multitargeting/chimeric compounds that will generate an iterative loop for rapid improvement of inhibitor potency. Innovative host-parasite interaction strategies will be implemented to overcome drug resistance an adopt a trojan horse strategy (D2.4).