Machine Learning‐Driven Prediction, Preparation, and Evaluation of Functional Nanomedicines Via Drug–Drug Self‐Assembly
Small molecules as nanomedicine carriers offer advantages in drug loading and preparation. Selecting effective small molecules for stable nanomedicines is challenging. This study used artificial intelligence (AI) to screen drug combinations for self-assembling nanomedicines, employing physiochemical parameters to predict formation via machine learning. Non-Steroidal Anti-Inflammatory Drugs (NSAIDs) are identified as effective carriers for antineoplastic drugs, with high drug loading. Nanomedicines, PEG-coated indomethacin/paclitaxel nanomedicine (PiPTX), and laminarin-modified indomethacin/paclitaxel nanomedicine (LiDOX), are developed with extended circulation and active targeting functions. Indomethacin/paclitaxel nanomedicine iDOX exhibits pH-responsive drug release in the tumor microenvironment. These nanomedicines enhance anti-tumor effects and reduce side effects, offering a rapid approach to clinical nanomedicine development.
Authors
- Zhiwei Gong (ORCID: https://orcid.org/0000-0003-0868-5158)
- Kui Luo (ORCID: https://orcid.org/0000-0002-3536-1485)
- Junjie Wang (ORCID: https://orcid.org/0009-0003-6742-1758)
- Li Zhou (ORCID: https://orcid.org/0000-0002-4785-261X)
- Zhirui Liu (ORCID: https://orcid.org/0009-0000-8245-3123)
- Yuchuan Yuan (ORCID: https://orcid.org/0000-0002-8289-7813)
- Xing Wang Zhou (ORCID: https://orcid.org/0000-0003-0852-0687)
- Jie Lou (ORCID: https://orcid.org/0000-0001-6639-9913)
- Gen Li (ORCID: https://orcid.org/0000-0002-4183-4242)
- Lu Wang (ORCID: https://orcid.org/0000-0001-7505-7894)
- Kang Xu (ORCID: https://orcid.org/0000-0002-6946-8635)
- Chengyuan Zhang (ORCID: https://orcid.org/0000-0001-7625-411X)
- Q.L. Xia
Institutions
- Army Medical University (CN)
- China Pharmaceutical University (CN)
- Sichuan University (CN)
- Kunming Medical University (CN)
- Northwest University (CN)
- West China Hospital of Sichuan University (CN)
- State Key Laboratory of Biotherapy
- Chongqing University of Technology (CN)
Publication Details
- Journal
- Advanced Science
- Published
- 2025-01-10
- DOI
- https://doi.org/10.1002/advs.202415902
- Citations
- 24
- Primary Topic
- Nanoplatforms for cancer theranostics
- Type
- article
- Field-Weighted Citation Impact
- 16.18
Funders
- Sichuan University
- Centre Scientifique et Technique du Bâtiment
- Postdoctoral Research Foundation of China