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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:scopusFrom 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:scopusGreener Strategy for Lupanine Purification from Lupin Bean Wastewaters Using a Molecularly Imprinted Polymer
ArticleAbstract: Lupanine is an alkaloid used in the pharma industry as a building block or precursor in the synthesiPalabras claves:added-value compound recovery from wastewaters, Computational chemistry, lupanine, lupin bean debittering, molecularly imprinted polymerAutores:Afonso C.A.M., Andrade K.H.S., Ángel Sánchez-González, Esteves T., Ferreira F.A., Ferreira F.C., Gil A., Mota A.T.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: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:scopusRelationship between structure and cytotoxicity of vanadium and molybdenum complexes with pyridoxal derived ligands
ArticleAbstract: In this work four vanadium complexes (compounds 1, 2, 3 and 4) and one molybdenum complex (compoundPalabras claves:A549 cell line, Cytotoxicity, Intercalator, stability, Vanadium, Zebrafish modelAutores:Ángel Sánchez-González, Avecilla F., Díaz-Prado M.L., Fernández M.R., Fernández-Bertólez N., Gil A., Mato-López L., Méndez J., Sar-Rañó A., Valdiglesias V.Fuentes:scopus