The development of data‐driven and targeted drug delivery systems is essential for advancing precision therapeutics. Despite substantial progress in nanocarrier development, conventional platforms continue to face major challenges in clinical translation due to biological complexity, off‐target accumulation, and limited adaptability to dynamic physiological environments. The integration of nanoarchitectonics and artificial intelligence (AI) offers an advanced strategy for engineering delivery systems that are structurally programmable, stimuli‐responsive, and autonomously optimized. Nanoarchitectonics enables the construction of hierarchical nanostructures with precise spatial and temporal control, while AI facilitates modeling, prediction, and iterative optimization throughout the development pipeline. In this perspective, an AI‐driven nanoarchitectonics framework is introduced for targeted drug delivery, structured around three key phases: 1) molecular target identification through bioinformatic profiling, 2) machine learning (ML)‐guided surface engineering to enhance targeting specificity, and 3) in silico modeling of delivery dynamics and systemic distribution. Drawing on recent advances and representative case studies, how AI tools are illustrated, from generative design algorithms to predictive pharmacokinetic models, are transforming the field from empirical formulation toward mechanism‐informed and AI‐driven intelligent design. By highlighting current limitations and outlining future directions for the integration of AI and nanoarchitectonics, are concluded with a focus on enabling clinically translatable nanomedicine platforms.

Since the beginning of human history, the demand for effective healthcare systems for diagnosis and treatment of health problems has grown steadily. However, traditional centralized healthcare requires hospital visits, making in‐time and long‐term healthcare challenging. Bioelectronics has shown potential in patient‐friendly healthcare owing to the rapid advances in diverse fields of biology and electronics. In particular, wearable and implantable bioelectronics have emerged as an alternative or adjunct to conventional healthcare. To develop into next‐generation healthcare systems, however, custom designs for biological targets with a deepened understanding of the intrinsic features of the target are essential. In addition, bioelectronic systems must be designed eco‐friendly for sustainable healthcare. In this review, bioelectronics as eco‐friendly and patient‐friendly integrated nanoarchitectonics as next‐generation smart healthcare technology are described. For an in‐depth understanding of biological targets and guidelines for target‐tailored design, we discuss target‐specific considerations and relevant key parameters of bioelectronic systems with the representative examples. image

This article reviews the integration of multidisciplinary approaches, including protein engineering, computational biology, and nanoarchitectonics, to advance pharmaceutical enzyme biocatalysis.

Learning to engineer self-assembly would enable the precise organization of molecules by design to create matter with tailored properties. Here we demonstrate that proteins can direct the self-assembly of buckminsterfullerene (C₆₀) into ordered superstructures. A previously engineered tetrameric helical bundle binds C₆₀in solution, rendering it water soluble. Two tetramers associate with one C₆₀, promoting further organization revealed in a 1.67-Å crystal structure. Fullerene groups occupy periodic lattice sites, sandwiched between two Tyr residues from adjacent tetramers. Strikingly, the assembly exhibits high charge conductance, whereas both the protein-alone crystal and amorphous C₆₀are electrically insulating. The affinity of C₆₀for its crystal-binding site is estimated to be in the nanomolar range, with lattices of known protein crystals geometrically compatible with incorporating the motif. Taken together, these findings suggest a new means of organizing fullerene molecules into a rich variety of lattices to generate new properties by design.

Several phenomena occurring throughout the life of living things start and end with proteins. Various proteins form one complex structure to control detailed reactions. In contrast, one protein forms various structures and implements other biological phenomena depending on the situation. The basic principle that forms these hierarchical structures is protein self-assembly. A single building block is sufficient to create homogeneous structures with complex shapes, such as rings, filaments, or containers. These assemblies are widely used in biology as they enable multivalent binding, ultra-sensitive regulation, and compartmentalization. Moreover, with advances in the computational design of protein folding and protein–protein interfaces, considerable progress has recently been made in the de novo design of protein assemblies. Our review presents a description of the components of supramolecular protein assembly and their application in understanding biological phenomena to therapeutics.