Department of Biochemistry and Biophysics, University of Rochester, Rochester, New York.
Biophys J. 2013 Oct 1;105(7):1612-23. doi: 10.1016/j.bpj.2013.08.034.
Bacteria, particularly of the genus Bacillus, produce a wide variety of antifungal compounds. They act by affecting the lipid bilayers of fungal membranes, causing curvature-induced strain and eventual permeabilization. One class of these, known as fengycins, has been commercialized for treating agricultural infections and shows some promise as a possible antifungal pharmaceutical. Understanding the mechanism by which fengycins damage lipid bilayers could prove useful to the future development of related antifungal treatments. In this work, we present multi-microsecond-long simulations of fengycin interacting with different lipid bilayer systems. We see fengycin aggregation and uncover a clear aggregation pattern that is partially influenced by bilayer composition. We also quantify some local bilayer perturbations caused by fengycin binding, including curvature of the lipid bilayer and local electrostatic-driven reorganization.
细菌，尤其是芽孢杆菌属，会产生多种抗真菌化合物。它们通过影响真菌膜的脂双层起作用，导致曲率诱导的应变，最终导致渗透。其中一类被称为丰原素，已被商业化用于治疗农业感染，并显示出作为一种潜在抗真菌药物的希望。了解丰原素破坏脂双层的机制可能对未来相关抗真菌治疗的发展有用。在这项工作中，我们展示了丰原素与不同脂质双层系统相互作用的长达数微秒的模拟。我们观察到丰原素的聚集，并揭示了一种清晰的聚集模式，这种模式部分受到双层组成的影响。我们还量化了丰原素结合引起的一些局部双层扰动，包括脂质双层的曲率和局部静电驱动的重组。
