Interactions of curcumin with the PfATP6 model and the implications for its antimalarial mechanism.
Despite curcumin has been proved to possess antimalarial effects, the underlying mechanism remains to be elucidated. In this letter, the active site binding modes of curcumin in PfATP6, an important antimalarial target, were investigated using computational docking. It was revealed that curcumin interacts with PfATP6 mainly through hydrophobic interactions and hydrogen bonds. Moreover, the theoretically predicted binding affinity implies that curcumin can efficiently inhibit PfATP6, which gains some deeper insights into the antimalarial mechanism of curcumin.
Ji
Hong-Fang
HF
Shandong Provincial Research Center for Bioinformatic Engineering and Technique, Center for Advanced Study, Shandong University of Technology, Zibo 255049, PR China.
Shen
Liang
L