Abstract |
Benzophenone, the parent of the diarylketone family, is a versatile compound commonly used as a UV blocker. It may also trigger triplet-based DNA photosensitization. Therefore, benzophenone is involved in DNA photodamage induction. In the absence of experimentally resolved structure, the mechanism of DNA damage production remains elusive. Employing a hybrid quantum mechanics/molecular mechanics approach, here we address the spin transfer mechanism between this drug and proximal thymine, that is, the DNA nucleobase most prone to suffer triplet damages.
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Authors | Elise Dumont, Meilani Wibowo, Daniel Roca-Sanjuán, Marco Garavelli, Xavier Assfeld, Antonio Monari |
Journal | The journal of physical chemistry letters
(J Phys Chem Lett)
Vol. 6
Issue 4
Pg. 576-80
(Feb 19 2015)
ISSN: 1948-7185 [Electronic] United States |
PMID | 26262469
(Publication Type: Letter, Research Support, Non-U.S. Gov't)
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Chemical References |
- Benzophenones
- Photosensitizing Agents
- benzophenone
- DNA
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Topics |
- Benzophenones
(chemistry)
- DNA
(chemistry)
- Molecular Dynamics Simulation
- Photosensitizing Agents
(chemistry)
- Quantum Theory
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