Computational study of the therapeutic properties of allicin and its nanocomplexes using DFT and molecular docking techniques
Abstract This study investigated the anti-inflammatory, anticancer, antiviral, and antibacterial effects of allicin and its complexes (Allicin/C₂₄, Allicin/B₁₂N₁₂, and Allicin/Al₁₂N₁₂) using advanced computational techniques such as Density Functional Theory (DFT), Quantum Theory of Atoms in Molecul...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-07-01
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| Series: | Scientific Reports |
| Subjects: | |
| Online Access: | https://doi.org/10.1038/s41598-025-03293-0 |
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