Simulation study on functions of an anti-microbial peptide

2015 Fiscal Year Final Research Report

• Project/Area Number: 25330355
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Research Field: Life / Health / Medical informatics
• Research Institution: Nagahama Institute of Bio-Science and Technology
• Principal Investigator: Yoda Takao 長浜バイオ大学, バイオサイエンス学部, 准教授 (50367900)
• Project Period (FY): 2013-04-01 – 2016-03-31
• Keywords: 抗菌ペプチド / 分子シミュレーション

Outline of Final Research Achievements

Here we performed simulation studies on conformations of a defensin-family peptide, Crp-4, and its interaction with membrane. Our replica-exchange molecular dynamics simulations have revealed effects of the evolutionally conserved disulfide bridges of Crp-4 on its conformations in an environment near negatively charged membrane. The spatial distribution of positively charged groups in the peptide has been shown to correlate with the number of disulfide bridges formed. The disulfide bridge between Cys11 and Cys28 seems to affect the hydrophobic cluster formation within the peptide molecule.

Free Research Field

生物物理学