Favipiravir (FAV) a promising therapeutic candidate for addressing COVID-19, has attracted significant attention in recent times. In an attempt to optimize its delivery and minimize its toxicity, this investigation delves into the utilization of gold, silver, and platinum loaded silica nano composites as dopants with FAV molecule, which serves as nano structured materials. The main goal of this research is to augment the efficiency of drug delivery and concurrently diminish the harmful effects associated with FAV administration. To achieve this, the structural and physicochemical characteristics of the nano composites are meticulously evaluated with quantum chemical calculations. A theoretical prediction of the interaction dynamics between FAV and the nanocomposites is conducted. The adsorption energies computed in this investigation indicate that FAV exhibits a greater attraction towards the Au, Ag, and Pt loaded silica nano composites. By the utilization of Surface Enhanced Raman Spectroscopy (SERS), the adsorption behavior of FAV and its interaction with the nano composites were examined. The addition of nano composites onto the surface of FAV led to notable alterations in the energy level of the frontier molecular orbitals, thereby leading to a reduction in the energy gaps. The examination of druglikeness makes a valuable contribution to the advancement of medication protocols related to FAV and offer valuable understanding into the bioactivity. Molecular docking was conducted on both the molecule (FAV) and its derivatives doped with silica nano composites, and the results explored the manner in which FAV and its derivatives interacted with the designated proteins. Overall, these findings proposed that the Au, Ag, and Pt loaded silica nano composites are efficient aspirants for the development of the FAV anti-COVID-19 drug delivery process.