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Graphene Oxide-Hydroxyapatite Nanocomposite Coatings and Extracellular Matrix Protein Interactions for Enhanced Osseointegration in Dental Implants

Saini RS, Binduhayyim RIH, Dermawan D, Kanji MA, Quadri SA, Heboyan A

Journal of cellular and molecular medicine, 2026

Abstract

Graphene oxide (GO) has been recognised to have a strong protein-binding ability attributed to its high surface area and oxygen functional groups (OFGs) but is plagued with dose-dependent cytotoxicity. In contrast, hydroxyapatite (HA) is highly biocompatible but has shown relatively weak protein-protein interactions on the molecular scale. The strategic merging of GO and HA into the GO-HA nanocomposite has the potential to synergistically and precisely facilitate bioactivity and biocompatibility across the implant-tissue interface. Molecular docking, pharmacophore modelling, and molecular dynamics simulations were used to explore the molecular interactions of GO, HA, and GO-HA nanocomposites with ECM proteins, including fibronectin (FN), collagen (COL), laminin (LAM), periostin (POSTN), vitronectin (VN), and osseointegration-related integrin receptors under physiological conditions. The GO-HA nanocomposites exhibited an enhanced number of hydrogen bonds and decreased residue-level fluctuations relative to GO or HA individually, indicating improved interfacial interaction stability at the protein-surface interface. Molecular dynamics simulation results indicated that ECM proteins in the presence of GO-HA showed better conformational stability, which might lead to favourable integrin-mediated adhesion. Preliminary in silico toxicity-related screening of the individual GO and HA model structures suggested differential safety alert patterns, with GO showing more cautionary…

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