Exploring pH dependent delivery of 5-fluorouracil from functionalized multi-walled carbon nanotubes.

[Display omitted] • Investigation of the pH on the adsorption of 5-FU onto functionalized nanocarrier. • This study was done by experimental and molecular dynamics simulation methods. • The blood and cancerous tumor are suitable for 5-FU loading and release, respectively. • 5-FU adsorption on nanocarrier in pH = 7.4 was stronger than it was in pH = 5.0, 9.0. Multi-walled carbon nanotubes (MWCNTs) can be applied for pH-sensitive delivery of anticancer drugs. Due to the importance of 5-fluorouracil (5-FU) in different tumor therapy regimens, it has been widely used in different pH dependent drug delivery systems. To investigate the pH effects on loading (and release) of 5-FU on (and from) the functionalized MWCNTs and propose the optimum condition for drug delivery, both macroscopic and microscopic studies were carried out using chromatography and molecular dynamic simulation at different conditions. For both levels of studies, different analytical approaches were performed to assess the validity of the methods. The experimental results revealed that 5-FU has more binding affinity to the surface of the nanocarrier at physiological pH (pH = 7.4) and showed more release at acidic conditions (pH = 5.0). Meanwhile it has been observed that basic pH (pH = 9.0) can lead to a dramatic decrease effect on loading of the drug. The results of this study can be used to suggest the optimum pH levels for nanocarbon based formulations of 5-FU in cancer therapy. [ABSTRACT FROM AUTHOR]