Pirillo J, Mazzone G, Russo N, Bertini L.
J Chem Inf Model. 2016 Dec 23. doi: 10.1021/acs.jcim.6b00486. [Epub ahead of print]Guanine and guanosine derivatives have long been in use as anticancer drugs and recently have been proposed also as photosensitizers in Photodynamic Therapy. By means of Density functional theory and its time-dependent formulation, the potential power as UVA chemotherapeutic agents has been investigated computing the photophysical properties (absorption spectra, excitation energies and spin-orbit matrix elements) of sulfur, selenium and tellurium substituted deoxyguanosine. Read More