Fig 1.
Aminoquinoline antimalarial drugs and drug candidates.
Fig 2.
New aminoquinolines (1–5) and precursor amines (6–10) synthesized.
Fig 3.
Synthetic strategy for compound 1 and other new aminoquinolines.
Table 1.
In vitro activities of compounds 1–5, CQ, and AQ against CQ-sensitive and CQ-resistant strains of P. falciparum.
Table 2.
Cytotoxicity of compounds 1–4 toward mammalian cells.
Table 3.
Metabolic stability data.
Fig 4.
Docked poses of 1 and 4 on heme.
Both aminoquinoline molecules were employed in the diprotonated form. Atom color code: white: H, brown: C, blue: N, red: O, and gold: Fe. Only polar hydrogens are shown for clarity.
Fig 5.
HOMO’s of compounds 1 and 4.
Table 4.
Computed docking energies.a