To further elucidate the observed binding affinity of vitamin D with aging receptors, we conducted molecular dynamics (MD) simulations. Sirtuin 1, consistently ranking high in all docking simulations, was chosen as a model to study complex stability over time. Two reaction coordinates, root mean square deviation (RMSD) and radius of gyration (Rg), were employed to assess complex stability. While RMSD measures structural deviation over time relative to the initial configuration, the Rg provides insights into SIRT1-vitamin D complex compactness.