Investigation of the interaction between amodiaquine and human serum albumin by fluorescence spectroscopy and molecular modeling

► The interaction between amodiaquine and human serum albumin has been investigated. ► The results obtained revealed that amodiaquine has moderate affinities for HAS and binds mainly to sub-domain IIA. ► Hydrogen bonding formation and van der Waals forces play major role in the binding process. ► The binding study was also modeled by molecular docking and molecular dynamic simulation.