Computational Design of Rhenium(I) Carbonyl Complexes for Anticancer Photodynamic Therapy
Daniel Álvarez, M. Isabel Menéndez, Raḿon López
Abstract
or CAP ligands with adequate electron-withdrawing and/or electron-donating substituents at the pyridocarbazole ligand, we have found several complexes with significant absorption at the therapeutic window. In addition, according to our results on the singlet-triplet energy gap, all of them should be able to produce cytotoxic singlet oxygen.
Topics & Concepts
ChemistryRheniumPhotodynamic therapyCombinatorial chemistryStereochemistryCancer researchOrganic chemistryBiologyClick Chemistry and ApplicationsRadiopharmaceutical Chemistry and ApplicationsNanoplatforms for cancer theranostics