Amodiaquine
Function
DrugBank ID:
Description:
A 4-aminoquinoquinoline compound with anti-inflammatory properties. [DrugBank]
Targets:
Fe(II)-protoporphyrin IX (Plasmodium falciparum); Histamine N-methyltransferase (Humans) [DrugBank]
Pharmacodynamics:
Amodiaquine, a 4-aminoquinoline similar to chloroquine in structure and activity, has been used as both an antimalarial and an anti-inflammatory agent for more than 40 years. Amodiaquine is at least as effective as chloroquine, and is effective against some chloroquine-resistant strains, although resistance to amodiaquine has been reported. The mode of action of amodiaquine has not yet been determined. 4-Aminoquinolines depress cardiac muscle, impair cardiac conductivity, and produce vasodilatation with resultant hypotension. They depress respiration and cause diplopia, dizziness and nausea. [DrugBank]
Structures
Docking in target protein
Off-target analysis based on ligand similarity (Homo sapiens)
Step 1 - Target prediction for Amodiaquine: SwissTargetPrediction
Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of Amodiaquine in the SMILES input box.
Step 2 - Blind docking for Amodiaquine: 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 Amodiaquine to perform blind docking.