Biomaterials have emerged as promising platforms in cancer research by mimicking physiological environments and enabling targeted therapeutic delivery. While this study does not employ biomaterials experimentally, it conceptually explores how structural insights into oncogenic protein interaction can inform future biomaterials-based interventions. Focusing on transcription factors MITF and MAX complex, central to melanocyte biology and melanoma progression, we performed Co-expression and gene-survival analyses, revealing a weak but significant correlation between MITF and MAX in skin cutaneous melanoma (SKCM) and no relation in uveal melanoma (UVM). Computational modelling using GRAMMDOCK and molecular dynamics (MD) simulation in GROMACS software identified a structurally stable MITF-MAX heterodimer. RMSD analysis confirmed complex stability and key interfacial interactions, including hydrogen bonds and salt bridge between ASP17 and ARG366, reinforced interface integrity. These results provide structural insights into MITF-MAX dimerization and provide a foundational framework for guiding future design of biomaterials with computational modelling and advance therapeutic strategies targeting interactions in melanoma therapy.