عنوان
Graphene Oxide Nanosheet as a Drug Delivery Vehicle For 5-Fluorouracil Anticancer Drug
نویسنده (گان)
Safdari,Fatemeh;Raissi,Heidar
چکیده مقاله
Due to the need to reduce the side effects of anticancer drugs, in the past two decades targeted drug delivery has been extensively developed. One of the most widely used anticancer drugs is 5-fluorouracil (5-FU). Because of unique properties of graphene oxide nanosheet (GONS) such as large surface area, chemical and mechanical stability, super conductivity and good biocompatibility, we investigated interaction between the drug and graphene oxide nanosheet as a drug delivery vehicle using density functional theory (DFT). DFT calculations were performed for 13 different configurations of adsorption 5-FU on GONS at the m05-2x level using 6-31G basis set. Interaction energies of complexes have been computed. Topologic parameters, NMR, NQR and thermodynamics parameters were evaluated for all of configuations. The results demonstrate GONS can be a good carrier for delivering of 5-FU through formation hydrogen bond and π–π stacking.

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