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 (C, BN, GaN) and doped fullerenes (CB, CBN) are considered as nanocarriers. Some combined configurations between the drug molecules and the carrier nanostructures have been then studied.
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