Izabele Marquetti

This perspective article presents an innovative concept for a biomanufacturing Knowledge Hub (KH), designed as a data-driven learning platform supporting the entire lifecycle of biomedical products. By integrating advanced data sharing and processing technologies, the KH aspires to connect patients, bioengineers, clinicians, regulators, companies, and investors to accelerate product development, reduce redundancies, and ultimately fast-track the delivery of biomedical innovations to patients. We discuss current challenges in accessing and sharing data within biomanufacturing and outline novel approaches for building an ecosystem that links data stores, integrates digital twins, and leverages advanced analytics. The KH offers transformative capabilities, enabling the development of new products at a substantial increased speed. It is built as a secure, quantum-resistant platform that encrypts data and allows access through advanced algorithms, creating an intelligent, collaborative environment. Users can harness collective knowledge to enhance products, launch innovations, integrate technologies, and unlock revenue opportunities based on data quality and usage. This KH aims to revolutionize biomanufacturing, offering unprecedented opportunities for innovation, better patient outcomes, and commercialization with far reaching applications beyond biomanufacturing in the future.

Bone Morphogenetic Protein-2 (BMP-2) is a growth factor associated with different developmental functions in regenerative medicine and tissue engineering. Because of its favorable properties for the development of bone and cartilage tissue, BMP-2 promotes the biocompatibility of medical implants. In this research, molecular dynamics simulations were implemented to simulate the interaction of BMP-2 with a flat hydrophilic silicon dioxide substrate, an important biomaterial for medical applications. We considered the influence of four orthogonal protein orientations on the adsorption behavior. Results showed that arginine and lysine were the main residues to interact with the silicon dioxide substrate, directly adsorbing onto the surface and overcoming water layers. However, between these charged residues, we observed a preference for arginine to adsorb. Orientations with the α-helix loop closer to the surface at the beginning of the simulations had greater loss of secondary structure as compared to the other configurations. Among all the orientations, the end-on B configuration had favorable adsorption characteristics with a binding energy of 14 000 kJ mol⁻¹ and retention of 21.7% β-sheets as confirmed by the Ramachandran plots. This research provides new insights into the nanoscale interaction of BMP-2 and silicon dioxide substrate with applications in orthopedic implants and regenerative medicine.

The interaction of proteins with biomaterials plays an important role for several biomedical applications including implants and tissue engineering. Although different experimental approaches have been explored, the investigation of the molecular models for protein-substrate interaction is warranted to control of cellular functions. In this study, Molecular Dynamics (MD) simulations were used to study the adsorption behavior of Bone Morphogenetic Protein-2 (BMP-2) on a hydrophobic graphite substrate. The influence of four different orientations of the protein with the substrate was evaluated based on their adsorption behavior. Results indicate a strong influence of the initial configuration on the adsorption. Protein unfolding was observed for most orientations with preferential binding of residues within the vicinity of the substrate. Most of the secondary structure of the protein was preserved during the simulation with a minor reduction of β-sheet structures. This research provides a detailed understanding of the interaction of BMP-2 with biomaterial surfaces.