Adsorption of Favipiravir on pristine graphene nanosheets as a drug delivery system: a DFT study
Mahmoud A. A. Ibrahim, M. Hamad, Amna H. M. Mahmoud, Gamal A. H. Mekhemer, Peter A. Sidhom, Shaban R. M. Sayed, Nayra A. M. Moussa, Abdallah I.M. Rabee, Eslam Dabbish, Tamer Shoeib
Abstract
, which was in synoptic with the adsorption energy pattern. Electronic properties of GN were also altered after the adsorption of the FPV drug in both configurations, with more observable changes in the parallel one. Interestingly, the Dirac point of the GN sheet coincided with the Fermi level after the adsorption process, indicating that the adsorption process unaffected the presence of the Dirac point. The occurrence of the adsorption process was also noticed by the existence of new bands and peaks in the band structure and DOS plots, respectively. Short recovery time rendered the GN nanosheet an efficient FPV drug delivery system. The obtained findings provide new insight into the biomedical applications of the GN sheet as a promising drug delivery system.