FLOW DIAGRAMS

Overall Flow

Two dimensions of MSGPP: Proteins and Ligands

Panel A. Piggy-back compound strategy: Targets will be selected for which there are existing ligands to orthologs in other organisms. The piggy-back compounds will be integrated into all aspect of the MSGPP pipeline with the goal of obtaining protein-ligand structures.

Panel B. Screening for ligands strategy: Medically relevant targets will be selected from protozoan genomes. The proteins will be made and screened for ligands (blue box). Ligands will be integrated into the downstream components of MSGPP in order to produce protein-ligand structures. A limited medicinal chemistry effort will serve to 1) make compounds predicted by virtual screening, or 2) to perform a single round of optimization for selected ligands. (FAC, frontal affinity chromatography; SMM, small molecular microarrays

Target Selection