Halofantrine
Function
DrugBank ID:
Description:
Halofantrine is an antimalarial. It belongs to the phenanthrene class of compounds that includes quinine and lumefantrine. It appears to inhibit polymerisation of heme molecules (by the parasite enzyme "heme polymerase"), resulting in the parasite being poisoned by its own waste. Halofantrine has been shown to preferentially block open and inactivated HERG channels leading to some degree of cardiotoxicity. [DrugBank]
Targets:
Fe(II)-protoporphyrin IX (Plasmodium falciparum); Potassium voltage-gated channel subfamily H member 2 (Humans); Plasmepsin-2 (Plasmodium falciparum) [DrugBank]
Pharmacodynamics:
Halofantrine is a synthetic antimalarial which acts as a blood schizonticide. It is effective against multi drug resistant (including mefloquine resistant) P. falciparum malaria. [DrugBank]
Structures
Docking in target protein
Off-target analysis based on ligand similarity (Homo sapiens)
Step 1 - Target prediction for Halofantrine: SwissTargetPrediction
Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of Halofantrine in the SMILES input box.
Step 2 - Blind docking for Halofantrine: CB-Dock
Tips: Click on the link to jump to the 'CB-Dock' webserver. Upload the structure file of target predicted by 'SwissTargetPrediction' and the 2D/3D structure file of Halofantrine to perform blind docking.