School of Biological Sciences, Whiteknights Campus, University of Reading, Reading, Berkshire, United Kingdom.
PLoS One. 2013 Apr 24;8(4):e61139. doi: 10.1371/journal.pone.0061139. Print 2013.
Major outer membrane proteins (MOMPs) of Gram negative bacteria are one of the most intensively studied membrane proteins. MOMPs are essential for maintaining the structural integrity of bacterial outer membranes and in adaptation of parasites to their hosts. There is evidence to suggest a role for purified MOMP from Chlamydophila pneumoniae and corresponding MOMP-derived peptides in immune-modulation, leading to a reduced atherosclerotic phenotype in apoE(-/-) mice via a characteristic dampening of MHC class II activity. The work reported herein tests this hypothesis by employing a combination of homology modelling and docking to examine the detailed molecular interactions that may be responsible. A three-dimensional homology model of the C. pneumoniae MOMP was constructed based on the 14 transmembrane β-barrel crystal structure of the fatty acid transporter from Escherichia coli, which provides a plausible transport mechanism for MOMP. Ligand docking experiments were used to provide details of the possible molecular interactions driving the binding of MOMP-derived peptides to MHC class II alleles known to be strongly associated with inflammation. The docking experiments were corroborated by predictions from conventional immuno-informatic algorithms. This work supports further the use of MOMP in C. pneumoniae as a possible vaccine target and the role of MOMP-derived peptides as vaccine candidates for immune-therapy in chronic inflammation that can result in cardiovascular events.
革兰氏阴性菌的主要外膜蛋白(MOMPs)是研究最深入的膜蛋白之一。MOMPs 对于维持细菌外膜的结构完整性以及寄生虫适应宿主至关重要。有证据表明,从肺炎衣原体中提取的纯化 MOMP 和相应的 MOMP 衍生肽在免疫调节中起作用,通过降低 MHC 类 II 活性,导致 apoE(-/-) 小鼠的动脉粥样硬化表型减少。本文通过运用同源建模和对接相结合的方法来检验这一假设,以检查可能负责的详细分子相互作用。基于大肠杆菌脂肪酸转运蛋白的 14 个跨膜 β-桶晶体结构,构建了肺炎衣原体 MOMP 的三维同源模型,为 MOMP 提供了一个合理的转运机制。配体对接实验用于提供驱动 MOMP 衍生肽与 MHC 类 II 等位基因结合的可能分子相互作用的细节,这些等位基因与炎症强烈相关。对接实验得到了传统免疫信息学算法预测的证实。这项工作进一步支持将 MOMP 作为肺炎衣原体的可能疫苗靶点,以及 MOMP 衍生肽作为慢性炎症免疫治疗候选疫苗的作用,这些炎症可能导致心血管事件。