hBD-3 Protein Interaction with Lipid Membranes

Human Beta-Defensin Type 3 (hBD-3) is a protein naturally-occurring in the human body which has antimicrobial properties by interaction with bacterial cell membranes directly. In order to understand its functional mechanism, it is important to study and analyze the interaction of hBD-3 with various lipid membranes, especially the gram-positive and gram-negative bacteria membranes. To study its function in molecular detail, doing molecular simulations is the correct method to try. The hBD-3 binding with different lipid bilayer systems were set up using CHARMM-GUI software, and the simulations were performed using NAMD program. The simulation trajectories will be analyzed using VMD program. The binding structure and dynamics of hBD-3 on lipid membranes will be analyzed and the result will cast light on novel antibacterial drug development in the long term