HOMEPRODUCTSCOMPANYCONTACTFAQResearchDictionaryPharmaSign Up FREE or Login

Resolving the Benzophenone DNA-Photosensitization Mechanism at QM/MM Level.

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.
AuthorsElise Dumont, Meilani Wibowo, Daniel Roca-Sanjuán, Marco Garavelli, Xavier Assfeld, Antonio Monari
JournalThe 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
PMID26262469 (Publication Type: Letter, Research Support, Non-U.S. Gov't)
Chemical References
  • Benzophenones
  • Photosensitizing Agents
  • benzophenone
  • DNA
Topics
  • Benzophenones (chemistry)
  • DNA (chemistry)
  • Molecular Dynamics Simulation
  • Photosensitizing Agents (chemistry)
  • Quantum Theory

Join CureHunter, for free Research Interface BASIC access!

Take advantage of free CureHunter research engine access to explore the best drug and treatment options for any disease. Find out why thousands of doctors, pharma researchers and patient activists around the world use CureHunter every day.
Realize the full power of the drug-disease research graph!


Choose Username:
Email:
Password:
Verify Password:
Enter Code Shown: