My aim is to carry out advanced quantum chemical and dynamical simulations on spiropyran derivatives embedded in DNA. After the theoretical design of spiropyran dyes able to efficiently induce DNA photodamage, the goal is to unravelling the underlying mechanisms behind the mode of action of spiropyrans. In particular, I will focus on photo-isomerization, DNA binding, excited-state electron transfer and energy transfer.
Bachelor Degree in Chemistry, “Sapienza University of Rome”
Master of Science in Chemistry, “Sapienza University of Rome”
Area of interest: Theoretical Chemistry, Computational Chemistry, Physical Chemistry.
He contributed to the 6th European Chemical Biology Symposium LS-EuChemS in Madrid on the 3rd to 5th of April 2019. The title of his flash communication was "Drastic effect of electrostatic potential on the binding mode of spiropyran photoswitch to ds DNA".
Davide Avagliano, Pedro A. Sánchez-Murcia and Leticia González, 2019. DNA-binding mechanism of spiropyran photoswitches: the role of electrostatics. Journal Physical Chemistry Chemical Physics, Issue 17. DOI: 10.1039/C8CP07508E
Davide Avagliano, Pedro A. Sánchez-Murcia and Leticia González, 2019. Directional and regioselective hole injection of spiropyran photoswitches intercalated into A/T-duplex DNA. Phys. Chem. Chem. Phys. DOI 10.1039/C9CP03398J