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Computational Studies on the Binding Preferences of Molybdenum(II) Phenanthroline Complexes with Duplex DNA. The Important Role of the Ancillary Ligands
ArticleAbstract: The interaction of two isomers, equatorial (Eq) and axial (Ax), of the [Mo(η3-C3H5)Br(CO)2(phen)] mePalabras claves:Autores:Ángel Sánchez-González, Calhorda M.J., Elleuchi S., Gil A., Jarraya K., Lopez X., Ortiz De Luzuriaga I.Fuentes:scopusInfluence of conventional hydrogen bonds in the intercalation of phenanthroline derivatives with DNA: The important role of the sugar and phosphate backbone
ArticleAbstract: The influence of hydrogen bonds in model intercalated systems between guanine-cytosine and adenine-tPalabras claves:DFT-D, DNA, phenanthroline derivatives, PM6-DH2, Weak interactionsAutores:Ángel Sánchez-González, Gil A., Grenut P.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:scopusUnraveling the Modulation of the Activity in Drugs Based on Methylated Phenanthroline When Intercalating between DNA Base Pairs
ArticleAbstract: Phenanthroline derivatives intercalate between base pairs of DNA and produce cytotoxic effects againPalabras claves:Autores:Ángel Sánchez-González, Branchadell V., Gil A.Fuentes:scopusUnravelling the binding affinity and selectivity of molybdenum(ii) phenanthroline complexes with DNA G-quadruplexes by using linear-scaling DFT studies. The important role of ancillary ligands
ArticleAbstract: We have used near linear-scaling density functional theory (LS-DFT) methods including dispersion, foPalabras claves:Autores:Ángel Sánchez-González, Gil A., Lopez X., Ortiz De Luzuriaga I., Synoradzki W.Fuentes:scopus