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From groove binding to intercalation: Unravelling the weak interactions and other factors modulating the modes of interaction between methylated phenanthroline-based drugs and duplex DNA
ArticleAbstract: Several antitumor drugs base their cytotoxicity on their capacity to intercalate between base pairsPalabras claves:Autores:Ángel Sánchez-González, Castro T.G., Gil A., Melle-Franco M.Fuentes:scopusElucidating the intercalation of methylated 1,10-phenanthroline with DNA: The important weight of the CH/H interactions and the selectivity of CH/π and CH/n interactions
ArticleAbstract: Flat molecules like phenanthroline derivatives intercalate between base pairs of deoxyribonucleic acPalabras claves:Autores:Ángel Sánchez-González, Gil A.Fuentes:scopusNew insights on the interaction of phenanthroline based ligands and metal complexes and polyoxometalates with duplex dna and g-quadruplexes
ReviewAbstract: This work provides new insights from our team regarding advances in targeting canonical and non-canoPalabras claves:Artificial phosphoesterases, DNA, G-quadruplexes, intercalation, LS-DFT, Mo-oxo species, phenanthroline derivatives, Phosphoester hydrolysis catalysis, Polyoxometalates, Weak interactionsAutores:Ángel Sánchez-González, Bandeira N.A.G., Calhorda M.J., de Luzuriaga I.O., Elleuchi S., Gil A., Jarraya K., Lanuza J., Lopez X., Martins F.F.Fuentes:scopusMechanistic Insights into Promoted Hydrolysis of Phosphoester Bonds by MoO<inf>2</inf>Cl<inf>2</inf>(DMF)<inf>2</inf>
ArticleAbstract: A phosphoester bond is a crucial structural block in biological systems, whose occurrence is regulatPalabras claves:Autores:Ángel Sánchez-González, Bandeira N.A.G., Gil A., Lanuza J., Lopez X.Fuentes:scopusProbing the Catalytically Active Species in POM-Catalysed DNA-Model Hydrolysis**
ArticleAbstract: Phosphoester hydrolysis is an important chemical step in DNA repair. One archetypal molecular modelPalabras claves:artificial phophoesterases, DFT, DNA, phosphoester hydrolysis, polyoxometalateAutores:Ángel Sánchez-González, Bandeira N.A.G., Gil A., Lanuza J., Lopez X., Martins F.F., Miras H.N.Fuentes:scopus