Computational Structural Analysis and 3D-Printed Modeling of the EED Pocket in Pediatric Diffuse Midline Glioma

Pediatric diffuse midline glioma (DMG), including the H3 K27-altered group, is a serious pediatric brain tumor associated with changes in the regulation of histone H3 lysine 27. The embryonic ectoderm development (EED) protein is a regulatory component of Polycomb Repressive Complex 2 (PRC2) and contains a structurally defined pocket involved in recognition of H3K27me3. This pre-results research study develops a reproducible computational and engineering framework for studying the three-dimensional structure of the EED regulatory pocket. Public structural data, including Protein Data Bank entry 5H19, are used as the primary molecular reference. Computational tools are used to examine molecular properties, visualize structures, and study the spatial relationship between selected molecular structures and the EED pocket. The study also includes a separate additive-manufacturing experiment. Selected digital structural models are converted into physical PLA models using two 3D-printing layer heights, 0.10 mm and 0.20 mm. Measurements of the printed models are compared with the original digital dimensions to quantify digital-to-physical dimensional accuracy. This manuscript describes planned and pre-results work. It does not report invented experimental measurements, biological activity, clinical outcomes, or therapeutic effectiveness. Computational docking or molecular-property calculations are treated as model-based observations rather than experimental measurements. Similarly, physicochemical filters are not considered proof that a molecule can cross the blood-brain barrier, and 3D-printed models are not treated as biological substitutes for real proteins. The purpose of the project is to investigate whether a student-accessible combination of structural biology, computational analysis, and additive manufacturing can produce repeatable structural measurements and a measurable method for evaluating digital-to-physical accuracy.