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...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2025-03-01
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| Series: | Results in Chemistry |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211715625001420 |