Criteria for selection of compounds for chemical synthesis. The compound library was evaluated by docking simulations. We primarily focused on TbPTR1 as the main target, since the FBDD approach was aimed mainly at this PTR1 variant, and 2aminobenzothiazoles had already been shown to be overall less active against the other important trypanosomatid target LmPTR1 22 . Favorable binding to TbPTR1 was thus one of the main criteria for compound selection. Nevertheless, the binding modes of compounds in LmPTR1 were also analyzed and compound activities were measured against LmPTR1, to evaluate the multi-PTR1-targeting inhibitory potential.