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Figure 4 | Malaria Journal

Figure 4

From: A novel inhibitor of Plasmodium falciparum spermidine synthase: a twist in the tail

Figure 4

The most important binding characteristics of the DPM2 cavity and the compounds selected to explore this region. (A) The PhFs best describing the binding characteristics of the DPM2 cavity. The red and blue spheres represent the PI and hydrophobic features, respectively. The PhFs of AdoDATO are shown in green while those of 4MCHA and dcAdoMet are in grey. The amino acid residues in white represent those that best define the interactions described by the PhFs. From left to right the red spheres represent the PI features of the aminopropyl chain of dcAdoMet, the middle feature represents the attacking nitrogen of putrescine and on the right is the feature of the non-attacking nitrogen of putrescine. In blue is the hydrophobic feature representative of the butyl group of putrescine. (B) The structures of the compounds including their docking scores, selected for inhibition assays of PfSpdS activity at 100 μM. aResults represent the percentage PfSpdS activity compared to untreated enzyme of the three independent experiments performed in duplicate. Data are given as ± SEMS, n = 3 or n = 4.

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