Understanding Interactions of Curcumin with Lipid Bilayers: A Coarse-Grained Molecular Dynamics Study

The interactions of curcumin with various lipid bilayers (POPC, DOPC, oxidized POPC, and oxidized DOPC) and model biomembranes (symmetric bacteria and yeast plasma membranes, as well as asymmetric mammalian plasma membrane) are investigated. A nonlinear thinning effect of curcumin with respect to its concentration is demonstrated in PC membranes and in the yeast. Curcumin induces asymmetry to the symmetric yeast membranes but reduces the degree of asymmetry of the mammalian plasma membranes when the molecule is placed facing the outer leaflets. The molecule is found to diffuse through oxidized PC bilayers, POPC bilayers at a curcumin to lipid ratio C/L = 1/5, yeast membranes at C/L = 1/100, and the mammalian plasma membranes at C/L = 1/5 and when the molecule placed facing the outer leaflets. The results of this work demonstrate that the lipid type, the lipid distribution, and curcumin amount play a critical role in defining the interactions of curcumin with the lipids and their transport behavior through the bilayers.