Investigating Chitosan–Curcumin Nanorings for Containing Fluorouracil

Authors : H Yousefvand, Mahmoud Mirzaei, Majid Tabbakhian

Pages : 6-12

View : 15 | Download : 7

Publication Date : 2017-12-15

Article Type : Research Paper

Abstract :We have performed density functional theory insert ignore into journalissuearticles values(DFT); calculations to investigate formation possibilities and properties of chitosan–curcumin insert ignore into journalissuearticles values(Chit–Cur); nanorings for containing fluorouracil insert ignore into journalissuearticles values(FU); anticancer drug. In this case, first, we have optimized all individual structures, then; we have constructed nanorings by the covalent attachments of Chit–Cur counterparts. To this aim, three complexes including FU–Chit2–Cur2, FU–Chit4–Cur2 and FU–Chit6–Cur2 have been constructed by physically locating FU inside the nanorings. The atomic and molecular scales results in isolated gas phase and water solvated systems indicated that the FU–Chit2–Cur2 complex could be expected as a good container for the FU anticancer drug.  
Keywords : Chitosan, Curcumin, Fluorouracil, Nanoring, Density functional theory