Astaxanthin targets VEGF and FGF2 as accelerators of oral wound healing: An in silico and pharmacokinetic analysis

Context: Effective management of oral wounds is crucial for preventing complications and ensuring proper tissue regeneration. Vascular endothelial growth factor (VEGF) and fibroblast growth factor 2 (FGF2) are key regulators of angiogenesis and tissue repair in wound healing. Astaxanthin, a potent antioxidant, has demonstrated therapeutic potential in various biological processes. Aims: To investigate the potential of astaxanthin as an accelerator of oral wound healing by analyzing its interactions with VEGF and FGF2 receptors through in silico and pharmacokinetic analysis. Methods: In silico was performed using PyRx-Vina with the structure prepared in PyMOL. Native ligands, including astaxanthin and hyaluronic acid, were modeled using AutoDock Tools, targeting the proteins VEGF and FGF2. ADMET predictions for astaxanthin were performed using the pkCSM platform. Results: The research findings indicated that astaxanthin formed stable complexes with VEGF and FGF2, exhibiting a strong binding affinity with both VEGF and FGF2 (<2). The binding affinity values for VEGF were -6.87  1.19, while FGF2 was -7.33  0.25. The binding of astaxanthin to both receptors was an alkyl bond, showing good interactions with amino acid residues. ADMET predictions indicated that astaxanthin showed poor water solubility (logS ≈ –6.4), high absorption efficiency, significant skin permeability, metabolism via cytochrome P450 enzymes, potential for excretion, and non-toxicity. Conclusions: Astaxanthin could be developed as a therapeutic agent for oral wound healing, as it interacts favorably through the VEGF and FGF2 pathways, with a good pharmacokinetic profile for topical application; however, experimental validation is required.