Optical properties of nanostructured antiviral and anticancer drugs.

ABSTRACT: We present a computational study on the optical absorption properties of some systems of interest in the field of drug delivery. In particular we considered as drug molecules favipiravir (T705, an antiviral molecule) and 5-fluorouracil (5FU, an anticancer molecule) and, on the other hand, pure fullerenes (C₂₄, B₁₂N₁₂, Ga₁₂N₁₂) and doped fullerenes (C₂₃B, CB₁₁N₁₂) are considered as nanocarriers. Some combined configurations between the drug molecules and the carrier nanostructures have been then studied. The optical absorption properties of the above mentioned drug molecules and their carrier nanostructures in the free and bound states are obtained by a TD-DFT method, in gas phase and in aqueous solution

SUBMITTER: Pisu AA 

PROVIDER: S-EPMC10392868 | biostudies-literature | 2023 Jul

REPOSITORIES: biostudies-literature