Table 3. Induced Fit Docking (IFD) and MM-GBSA (ΔG Bind) Calculations of Selected Compounds.

drug target	ligand	docking score	glide emodel	glide energy	ΔG bind (kcal·mol–1)
PfCRT	8c	–6.365	–64.355	–48.114	–104.86
	8d	–6.761	–69.445	–51.340	–114.68
	8e	–7.854	–78.585	–56.766	–127.24
	CQ2+	–3.771	–40.737	–34.958	–69.67
PfDHODH	8c	–7.569	–104.239	–67.713	–81.51
	8d	–8.290	–100.770	–64.736	–82.34
	8e	–8.884	–95.267	–61.258	–101.46
	CQ2+	–9.022	–72.177	–48.755	–116.27
	DSM42139	–10.057	–82.379	–46.154	–103.58