COMPUTATIONAL EVALUATION OF THE BIOMECHANICAL AND BIOCOMPATIBILITY BEHAVIOUR OF BIOMATERIALS FOR ORAL REHABILITATION

Background:Recent advancements in computer simulations present promising alternatives for investigating the biomechanical performance, degradation, and biocompatibility of dental materials, especially polymethyl methacrylate (PMMA), zirconia, and titanium-based structures. The aim of this review was to examine the biomechanical behaviour, molecular interactions, degradation trends, and biocompatibility of different dental biomaterials employed in oral rehabilitation utilising advanced computational techniques. Materials and Methods:Finite Element Analysis (FEA) is used to simulate the distribution of stress inside the prosthetic restoration, underlying implant and peri-implant tissues, utilising 3D models of the jawbone, abutments, and restorations. Molecular dynamics simulations alongside in silico toxicity screening tools are valuable for evaluating the degradation behaviour and possible biological interactions of PMMA and other dental polymers under various simulated conditions. Models for protein-ligand docking can be employed to explore interactions between biomaterial monomers and target receptors that are pertinent to biocompatibility and toxicity. Results:Computational modelling can successfully pinpoint abnormal stress zones linked to implant failure and anticipated stress-strain responses under functional loads. At the molecular level, simulations may demonstrate structural changes in PMMA induced by environmental stress, including chain deterioration and loss of flexibility under elevated humidity and thermal stress. In silico toxicity assessments highlight potential reactive sites within polymer structures and provide predictive insights into their biocompatibility. Interaction modelling verified either favourable or undesirable binding affinities with biological receptors, depending on the composition of the material. Conclusion:Computational methodologies offer a cost-effective, scalable, and highly detailed strategy for both biomechanical and biological evaluation of dental biomaterials. This multiscale modelling approach addresses the limitations of conventional empirical techniques by allowing the prediction of clinical outcomes and biocompatibility at both structural and molecular levels. The study lays the groundwork for a safer selection and design of materials in prosthodontics and implantology, emphasizing the importance of incorporating computational methods in future biomaterial research.