Rational strategies for improving the efficiency of design and discovery of nanomedicines

Xiaoting Shan, Ying Cai, Binyu Zhu, Lingli Zhou, Xujie Sun, Xiaoxuan Xu, Qi Yin, Dangge Wang () and Yaping Li ()
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Xiaoting Shan: Chinese Academy of Sciences
Ying Cai: Chinese Academy of Sciences
Binyu Zhu: Chinese Academy of Sciences
Lingli Zhou: Chinese Academy of Sciences
Xujie Sun: Chinese Academy of Sciences
Xiaoxuan Xu: Chinese Academy of Sciences
Qi Yin: Chinese Academy of Sciences
Dangge Wang: Shanghai Jiao Tong University School of Medicine
Yaping Li: Chinese Academy of Sciences

Nature Communications, 2024, vol. 15, issue 1, 1-9

Abstract: Abstract 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.

Date: 2024
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DOI: 10.1038/s41467-024-54265-3

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