Membrane fusion is crucial for infection of enveloped viruses, cellular transport, and drug delivery via liposomes. Nanoparticles can serve as fusogenic agents facilitating such membrane fusion for direct transmembrane transport. However, the underlying mechanisms of nanoparticle-induced fusion and the ideal properties of such nanoparticles remain largely unknown. Here, we used molecular dynamics simulations to investigate the efficacy of spheroidal nanoparticles with different size, prolateness, and ligand interaction strengths to enhance fusion between vesicles. By systematically varying nanoparticle properties, we identified how each parameter affects the fusion process and determined the optimal parameter range that promotes fusion. These findings provide valuable insights for the design and optimization of fusogenic nanoparticles with potential biotechnological and biomedical applications.

中文翻译：

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纳米颗粒诱导脂质膜融合

膜融合对于包膜病毒的感染、细胞运输和通过脂质体的药物输送至关重要。纳米颗粒可以充当融合剂，促进这种膜融合以进行直接跨膜运输。然而，纳米粒子诱导融合的基本机制和此类纳米粒子的理想特性仍然很大程度上未知。在这里，我们使用分子动力学模拟来研究具有不同尺寸、扁长度和配体相互作用强度的球形纳米颗粒增强囊泡之间融合的功效。通过系统地改变纳米粒子的特性，我们确定了每个参数如何影响融合过程，并确定了促进融合的最佳参数范围。这些发现为具有潜在生物技术和生物医学应用的融合纳米颗粒的设计和优化提供了宝贵的见解。