Experimental and theoretical studies of emodin interacting with a lipid bilayer of DMPC.

ABSTRACT: Emodin is one of the most abundant anthraquinone derivatives found in nature. It is the active principle of some traditional herbal medicines with known biological activities. In this work, we combined experimental and theoretical studies to reveal information about location, orientation, interaction and perturbing effects of Emodin on lipid bilayers, where we have taken into account the neutral form of the Emodin (EMH) and its anionic/deprotonated form (EM^-). Using both UV/Visible spectrophotometric techniques and molecular dynamics (MD) simulations, we showed that both EMH and EM^- are located in a lipid membrane. Additionally, using MD simulations, we revealed that both forms of Emodin are very close to glycerol groups of the lipid molecules, with the EMH inserted m

SUBMITTER: da Cunha AR 

PROVIDER: S-EPMC5662058 | biostudies-literature | 2017 Oct

REPOSITORIES: biostudies-literature