Figure 5
From: Computational analysis of binding between malarial dihydrofolate reductases and anti-folates
Effect of PmDHFR N50K and S114N mutations on docking of DHFR inhibitors. Pyrimethamine (A), cycloguanil (B) and trimethoprim (C) were docked into the PmDHFR-N50K binding site; pyrimethamine (D), cycloguanil (E) and trimethoprim (F) into the PmDHFR-S114N binding site. In each case the ligand in white represents the position when docked to the wild-type protein; the grey/coloured ligand represents docking to the mutant protein.