Density functional theory (DFT) calculations were performed to investigate the effects of a carbon nanotube (CNT) on the properties of the FLUOROURACIL (F-Uracil) anticancer drug. To achieve the purpose, a molecular model including both of F-Uracil and CNT molecules was created to represent the CNT@F-Uracil compound. The optimized parameters indicated that the new compound could show new properties different from the original F-Uracil. The obtained chemical shielding parameters also indicated that the electronic properties of oxygen and fluorine atoms could detect notable changes whereas those of carbon and hydrogen atoms are almost negligible. Moreover, the most changes of properties were observed for nitrogen atom number one, in which make the connection link of the CNT group to the F-Uracil molecule. The changes of properties of other nitrogen atom are almost negligible.

Background: The hepatotoxic effect of 5-FLUOROURACIL (5-FU) can deprive cancer patients of its maximum therapeutic benefits. Selenium (Se) is a trace element with potential benefits in some animal models of diseases. Objectives: This study assessed the ability of Se to nullify the hepatotoxic effect of 5-FU in albino rats. Methods: In this study, 40 adult male albino rats were grouped into A to D (each 5 rats). Rats in group A (control) were treated intraperitoneally (IP) with normal saline (0. 2 mL) daily for 5 days. Rats in groups B1 to B3 were treated IP with Se (0. 125, 0. 25, and 0. 50 mg/kg) daily for 5 days, respectively. Rats in group C were treated IP with 5-FU (20 mg/kg) daily for 5 days. Rats in groups D1to D3 were treated IP with Se with 0. 125, 0. 25, and 0. 50 mg/kg before treatment with 5-FU (20 mg/kg) daily for 5 days, respectively. After treatment, the rats were euthanized, and their blood samples were collected and evaluated for serum liver function. Liver samples were evaluated for biochemical and histological parameters. Results: Liver and serum aminotransferases, gamma-glutamyl transferase, lactate dehydrogenase, alkaline phosphatase, total bilirubin, and conjugated bilirubin levels were significantly (P<0. 001) high in 5-FU-treated rats in comparison to the control group. Liver glutathione peroxidase, superoxide dismutase (SOD), catalase, and glutathione levels were significantly (P<0. 001) low whereas the malondialdehyde level was significantly (P<0. 001) high in 5-FU-treated rats compared with the control group. Moreover, hepatocyte necrosis was observed in 5-FU-treated rats. Conclusion: Nonetheless, 5-FU-induced hepatotoxicity was significantly nullified in rats supplemented with Se (0. 125 mg/kg, P<0. 05; 0. 25 mg/kg, P<0. 01, and 0. 5 mg/kg, P<0. 001) in a dose-dependent fashion in comparison to 5-FU-treated rats. Thus, Se may have a clinical benefit in 5-FU-induced hepatotoxicity.