Zeena Kas Issa

Bioengineering and Molecular Simulation of Membrane Fusion Processes and Mechanisms

In this project, research is focused on understanding membrane fusion at the atomic level in real time. Our goals are to elucidate the molecular mechanism, structure, chemistry and energetics of membrane fusion, which is essential to many life processes such as hormone secretion, fertilization and drug delivery. We examine the role of divalent cations, such as calcium, magnesium and barium, on membrane fusion.  We have shown that calcium ions are able to form ring-like complexes among opposing DMP- molecules [1]. This work was then extended to full lipid bilayers, an example of which is shown in the figure. As in the case of DMP-, calcium was found to be capable of bridging two or more phospholipid head groups located in opposing bilayers.  This work is supported in part by: NSF CBET-0730768

Color Scheme: Calcium ion (green), oxygen (red) hydrogen (white). For Clarity, water molecules and phospholipids are displayed in the licorice  representation.