Theoretical insights into the interaction of 6-Thioguanine anticancer drug with β-Cyclodextrin as a pharmaceutical Nanocarrier via density functional theory
In this study, the absorption and interaction effects of the anticancer drug 6-Thioguanine in various orientations on the β-cyclodextrin nanocarrier were theoretically investigated and optimized using Gaussian 09 software. Quantum mechanical calculations, based on Density Functional Theory with the...
Saved in:
| Main Authors: | Sepideh Shokri Shams, Masoumeh Shahi, Fatemeh Azarakhshi |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2025-03-01
|
| Series: | Results in Chemistry |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211715625001420 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
-
Theoretical calculation on a compound formed by methyl alcohol and simmondsin
by: İzzet KARA, et al.
Published: (2016-12-01) -
Theoretical calculation on a compound formed by methyl alcohol and simmondsin
by: İzzet KARA, et al.
Published: (2016-01-01) -
Supramolecular Assemblies and Anticancer Activities of Aminopyidine-Based Polynuclear and Mononuclear Co(II) Benzoates: Experimental and Theoretical Studies
by: Kamal K. Dutta, et al.
Published: (2025-02-01) -
Quantum chemical study of anti-gout molecule allopurinol and its dimer by using the first principle
by: Vijay Singh
Published: (2025-07-01) -
Spectroscopic Characterization Using <sup>1</sup>H and <sup>13</sup>C Nuclear Magnetic Resonance and Computational Analysis of the Complex of Donepezil with 2,6-Methyl-β-Cyclodextrin and Hydroxy Propyl Methyl Cellulose
by: Nikoletta Zoupanou, et al.
Published: (2025-03-01)