State Key Laboratory of Drug Research & Center of Pharmaceutics, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, 201203, China.
University of Chinese Academy of Sciences, No. 19A Yuquan Road, Beijing, 100049, China.
Nat Commun. 2024 Nov 18;15(1):9990. doi: 10.1038/s41467-024-54265-3.
The rise of rational strategies in nanomedicine development, such as high-throughput methods and computer-aided techniques, has led to a shift in the design and discovery patterns of nanomedicines from a trial-and-error mode to a rational mode. This transition facilitates the enhancement of efficiency in the preclinical discovery pipeline of nanomaterials, particularly in improving the hit rate of nanomaterials and the optimization efficiency of promising candidates. Herein, we describe a directed evolution mode of nanomedicines driven by data to accelerate the discovery of nanomaterials with high delivery efficiency. Computer-aided design strategies are introduced in detail as one of the cutting-edge directions for the development of nanomedicines. Ultimately, we look forward to expanding the tools for the rational design and discovery of nanomaterials using multidisciplinary approaches. Rational design strategies may potentially boost the delivery efficiency of next-generation nanomedicines.
理性策略在纳米医学发展中的兴起，如高通量方法和计算机辅助技术，导致纳米药物的设计和发现模式从试错模式转变为理性模式。这种转变促进了纳米材料临床前发现管道效率的提高，特别是在提高纳米材料的命中率和优化有前途的候选物的效率方面。在这里，我们描述了一种由数据驱动的纳米药物定向进化模式，以加速具有高输送效率的纳米材料的发现。计算机辅助设计策略被详细介绍为纳米药物开发的前沿方向之一。最终，我们期待使用多学科方法扩展纳米材料的合理设计和发现工具。理性设计策略可能会提高下一代纳米药物的输送效率。
