Interaction of salicylate and a terpenoid plant extract with model membranes: reconciling experiments and simulations.

ABSTRACT: We investigate the effects of two structurally similar small cyclic molecules: salicylic acid and perillic acid on a zwitterionic model lipid bilayer, and show that both molecules might have biological activity related to membrane thinning. Salicylic acid is a nonsteroidal antiinflammatory drug, some of the pharmacological properties of which arise from its interaction with the lipid bilayer component of the plasma membrane. Prior simulations show that salicylate orders zwitterionic lipid membranes. However, this is in conflict with Raman scattering and vesicle fluctuation analysis data, which suggest the opposite. We show using extensive molecular dynamics simulations, cumulatively >2.5 μs, that salicylic acid indeed disorders membranes with concomitant membrane thinning and that the conf

SUBMITTER: Khandelia H 

PROVIDER: S-EPMC3000517 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature