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oai:riubu.ubu.es:10259/42822022-12-20T11:21:21Zcom_10259_3593com_10259_5086com_10259_2604com_10259_4365com_10259_4883com_10259_3596col_10259_3594col_10259_4366col_10259_4884col_10259_3597

00925njm 22002777a 4500 dc Gil García, Rubén author Ugalde, María author Busto Vázquez, Natalia author Lozano Ordóñez, Héctor J. author Leal Villalba, José María author Pérez, Begoña author Madariaga, Gotzon author Insausti, Maite author Lezama, Luis author Sanz Díez, Roberto author Gómez Sainz, Lidia M. author García Ruiz, Begoña author García Tojal, Javier author 2016-12 Thiosemicarbazones and their metal derivatives have long been screened as antitumor agents, and their interactions with DNA have been analysed. Herein, we describe the synthesis and characterization of compounds containing [CuL]+ entities (HL = pyridine-2-carbaldehyde thiosemicarbazone) and adenine, cytosine or 9-methylguanine, and some of their corresponding nucleotides. For the first time, crystal structures of adenine- and 9-methylguanine-containing thiosemicarbazone complexes are reported. To the best of our knowledge, the first study on the affinity thiosemicarbazone–RNA is also provided here. Experimental and computational studies have shown that [CuL(OH2)]+ entities at low concentration intercalate into dsRNA poly(rA)·poly(rU) through strong hydrogen bonds involving uracil residues and π–π stacking interactions. In fact, noncovalent interactions are present both in the solid state and in solution. This behaviour diverges from that observed with DNA duplexes and creates an optimistic outlook in achieving selective binding to RNA for subsequent possible medical applications. 1477-9226 http://hdl.handle.net/10259/4282 Selectivity of a thiosemicarbazonatocopper(II) complex towards duplex RNA. Relevant noncovalent interactions both in solid state and solution