FIG 1.
Workflow of this study. First, 224 compounds that showed antihemozoin activity in our previous study (22) underwent in vitro antimalarial assays at 10 μM. Second, 30 compounds with ≥45% parasite-inhibitory efficacy underwent an in vitro dose-response assay at concentrations of between 0.5 nM and 10 μM. Next, 22 compounds with IC50s of ≤10 μM were identified. Subsequently, the main structures and physicochemical properties of these compounds were searched by using SciFinder. Finally, the prediction models were generated by the traditional approach versus the Bayesian approach, using their physical and chemical properties.