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Small Heterocyclic Ligands as Anticancer Agents: QSAR with a Model G-Quadruplex
Authors:Jose Kaneti  Vanya Kurteva  Milena Georgieva  Natalia Krasteva  George Miloshev  Nadezhda Tabakova  Zhanina Petkova  Snezhana M. Bakalova
Affiliation:1.Institute of Organic Chemistry with Centre of Phytochemistry, Bulgarian Academy of Sciences, 1113 Sofia, Bulgaria;2.Institute of Molecular Biology “R. Tsanev”, Bulgarian Academy of Sciences, 1113 Sofia, Bulgaria;3.Institute of Biophysics and Biomedical Engineering, Bulgarian Academy of Sciences, 1113 Sofia, Bulgaria
Abstract:
Keywords:nitrogen heterocyclic ligands   G-quadruplexes   stacking interactions   DFT GQ-ligand affinity vs. IC50 relationship   quantum chemical calculations
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