Investigating Chitosan–Curcumin Nanorings for Containing Fluorouracil

H Yousefvand; Mahmoud Mirzaei; Majid Tabbakhian

Article Details

Investigating Chitosan–Curcumin Nanorings for Containing Fluorouracil

Authors:

H Yousefvand | Mahmoud Mirzaei | Majid Tabbakhian

Publisher:

Koray SAYIN

Journal:

Turkish Computational and Theoretical Chemistry 2017 Vol.1 Issue 2, pp.6-12

Document Type:

Article

Publication Date:

12/2017

Document Language:

Turkish

Document ID (Org No.):

2000628511

Frequency:

Tri-annual

eISSN:

2602-3237

pISSN:

2587-1722

Abstract:

 





We have performed density functional
theory (DFT) calculations to investigate formation possibilities and properties
of chitosan–curcumin (Chit–Cur) nanorings for containing fluorouracil (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.  

.

Article Details

Investigating Chitosan–Curcumin Nanorings for Containing Fluorouracil

Authors: H Yousefvand | Mahmoud Mirzaei | Majid Tabbakhian

Publisher: Koray SAYIN

Journal: Turkish Computational and Theoretical Chemistry 2017 Vol.1 Issue 2, pp.6-12

Document Type: Article

Publication Date: 12/2017

Document Language: Turkish

Document ID (Org No.): 2000628511

Frequency: Tri-annual

eISSN: 2602-3237

pISSN: 2587-1722

Issues

Authors:

H Yousefvand | Mahmoud Mirzaei | Majid Tabbakhian

Publisher:

Koray SAYIN

Journal:

Turkish Computational and Theoretical Chemistry 2017 Vol.1 Issue 2, pp.6-12

Document Type:

Article

Publication Date:

12/2017

Document Language:

Turkish

Document ID (Org No.):

2000628511

Frequency:

Tri-annual

eISSN:

2602-3237

pISSN:

2587-1722