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The integration of artificial intelligence, protein engineering, and sustainable nanomedicine has driven a paradigm shift in the field of therapeutic medicine, achieving highly precise disease diagnosis and targeted treatment. Methods driven by artificial intelligence, including machine learning and deep learning, have facilitated the rapid analysis of complex biological and chemical data sets, accelerating protein structure prediction, molecular docking, and structure-activity relationship modeling. These capabilities support the rational design of proteins and peptide segments, enhancing specificity, therapeutic efficacy, and safety, while enabling personalized treatment strategies tailored to individual molecular profiles. At the same time, sustainable nanomedicine focuses on developing biodegradable, biocompatible, and environmentally friendly nanomaterials to enhance the bioavailability, stability, and controlled release of drugs. Artificial intelligence-assisted optimization further optimizes the design of nanocarriers, achieving a balance between therapeutic performance, safety, and environmental impact. Advanced intelligent nanocarriers capable of real-time monitoring, adaptive drug release, and degradation into non-toxic by-products represent a significant advancement over traditional static systems. The therapeutic paradigm has become the core of precision medicine, especially in oncology, where AI-designed nanoplatforms can deliver imaging drugs and therapeutic drugs specifically to tumors while enabling continuous treatment monitoring and minimizing off-target effects. Emerging applications in neurology, infectious diseases, and cardiovascular diseases further highlight the extensive clinical potential of this approach. Therefore, this review summarizes the artificial intelligence-driven protein design strategies, sustainable nanocarrier engineering, and their integration in the next generation of therapeutic systems, critically discussing the mechanism insights, translational challenges, and design principles required for the development of safe, scalable, and clinically adaptable intelligent nanomedicine. This research was published in the journal Bioactive Materials under the title "Artificial intelligence-driven protein design and sustainable nanomedicine for advanced theranostics".
References:
DOI: 10.1016/j.bioactmat.2026.01.036
