Works by Gago, Federico

Results: 69

7,5'-O-Dibenzylinosines: Synthesis and Studies on Their Conformational Properties.

Published in:

Nucleosides, Nucleotides & Nucleic Acids, 2007, v. 26, n. 6/7, p. 695, doi. 10.1080/15257770701490696

By:

Casanova, Elena;
Pérez-Pérez, María-Jesús;
Aguado, Leire;
Jimeno, María-Luisa;
Gago, Federico;
Camarasa, María-José

Publication type:

Article

Role of stacking interactions in the binding sequence preferences of DNA bis-intercalators: insight from thermodynamic integration free energy simulations.

Published in:

Nucleic Acids Research, 2005, v. 33, n. 19, p. 6214, doi. 10.1093/nar/gki916

By:

Marco, Esther;
Negri, Ana;
Luque, F. Javier;
Gago, Federico

Publication type:

Article

A distinctive family of L,D-transpeptidases catalyzing L-Ala-mDAP crosslinks in Alpha- and Betaproteobacteria.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-45620-5

By:

Espaillat, Akbar;
Alvarez, Laura;
Torrens, Gabriel;
ter Beek, Josy;
Miguel-Ruano, Vega;
Irazoki, Oihane;
Gago, Federico;
Hermoso, Juan A.;
Berntsson, Ronnie P-A.;
Cava, Felipe

Publication type:

Article

Hakin-1, a New Specific Small-Molecule Inhibitor for the E3 Ubiquitin-Ligase Hakai, Inhibits Carcinoma Growth and Progression.

Published in:

Cancers, 2020, v. 12, n. 5, p. 1340, doi. 10.3390/cancers12051340

By:

Martinez-Iglesias, Olaia;
Casas-Pais, Alba;
Castosa, Raquel;
Díaz-Díaz, Andrea;
Roca-Lema, Daniel;
Concha, Ángel;
Cortés, Álvaro;
Gago, Federico;
Figueroa, Angélica

Publication type:

Article

A Supramolecular Stabilizer of the 14‐3‐3ζ/ERα Protein‐Protein Interaction with a Synergistic Mode of Action.

Published in:

Angewandte Chemie International Edition, 2020, v. 59, n. 13, p. 5284, doi. 10.1002/anie.201914517

By:

Gigante, Alba;
Sijbesma, Eline;
Sánchez‐Murcia, Pedro A.;
Hu, Xiaoyu;
Bier, David;
Bäcker, Sandra;
Knauer, Shirley;
Gago, Federico;
Ottmann, Christian;
Schmuck, Carsten

Publication type:

Article

Binding of eEF1A2 to the RNA-dependent protein kinase PKR modulates its activity and promotes tumour cell survival.

Published in:

2018

By:

Losada, Alejandro;
Muñoz-Alonso, María José;
Martínez-Díez, Marta;
Gago, Federico;
Domínguez, Juan Manuel;
Martínez-Leal, Juan Fernando;
Galmarini, Carlos M.

Publication type:

journal article

Structural Landscape of the Transition from an ssDNA Dumbbell Plus Its Complementary Hairpin to a dsDNA Microcircle Via a Kissing Loop Intermediate.

Published in:

Molecules, 2021, v. 26, n. 10, p. 3017, doi. 10.3390/molecules26103017

By:

Mills, Alberto;
Gago, Federico;
Randazzo, Antonio

Publication type:

Article

(F)uridylylated Peptides Linked to VPg1 of Foot-and- Mouth Disease Virus (FMDV): Design, Synthesis and X-Ray Crystallography of the Complexes with FMDV RNA-Dependent RNA Polymerase.

Published in:

Molecules, 2019, v. 24, n. 13, p. 2360, doi. 10.3390/molecules24132360

By:

de Castro, Sonia;
Ferrer-Orta, Cristina;
Mills, Alberto;
Fernández-Cureses, Gloria;
Gago, Federico;
Verdaguer, Nuria;
Camarasa, María-José;
Seley-Radtke, Katherine L.;
Dayie, Theodore K.

Publication type:

Article

Synthesis and Cytotoxicity of 7,9-O-Linked Macrocyclic C-Seco Taxoids.

Published in:

Molecules, 2019, v. 24, n. 11, p. 2161, doi. 10.3390/molecules24112161

By:

Zhao, Yu;
Wang, Tian-En;
Mills, Alberto;
Gago, Federico;
Fang, Wei-Shuo;
Chen, Qiao-Hong

Publication type:

Article

Silyl Assistance in the Intramolecular Addition of Pyridyl Radicals onto Pyridines and Quinolines.

Published in:

European Journal of Organic Chemistry, 2016, v. 2016, n. 10, p. 1891, doi. 10.1002/ejoc.201600170

By:

Filace, Fabiana;
Sánchez ‐ Murcia, Pedro A.;
Sucunza, David;
Pérez ‐ Redondo, Adrián;
Álvarez ‐ Buílla, Julio;
Gago, Federico;
Burgos, Carolina

Publication type:

Article

Probing the Dimerization Interface of Leishmania infantum Trypanothione Reductase with Site-Directed Mutagenesis and Short Peptides.

Published in:

ChemBioChem, 2013, v. 14, n. 10, p. 1212, doi. 10.1002/cbic.201200744

By:

Toro, Miguel A.;
Sánchez‐Murcia, Pedro A.;
Moreno, David;
Ruiz‐Santaquiteria, Marta;
Alzate, Juan Fernando;
Negri, Ana;
Camarasa, María‐José;
Gago, Federico;
Velázquez, Sonsoles;
Jiménez‐Ruiz, Antonio

Publication type:

Article

Mechanistic Insight into the Catalytic Activity of ββα-Metallonucleases from Computer Simulations: Vibrio vulnificus Periplasmic Nuclease as a Test Case.

Published in:

ChemBioChem, 2011, v. 12, n. 17, p. 2615, doi. 10.1002/cbic.201100485

By:

Bueren-Calabuig, Juan A.;
Coderch, Claire;
Rico, Eva;
Jiménez-Ruiz, Antonio;
Gago, Federico

Publication type:

Article

Solution Structure and Stability of Tryptophan-Containing Nucleopeptide Duplexes.

Published in:

ChemBioChem, 2003, v. 4, n. 1, p. 40, doi. 10.1002/cbic.200390012

By:

Gómez-Pinto, Irene;
Marchán, Vicente;
Gago, Federico;
Grandas, Anna;
González, Carlos

Publication type:

Article

Insight into the sequence-specific elements leading to increased DNA bending and ligase-mediated circularization propensity by antitumor trabectedin.

Published in:

Journal of Computer-Aided Molecular Design, 2021, v. 35, n. 6, p. 707, doi. 10.1007/s10822-021-00396-4

By:

Mills, Alberto;
Gago, Federico

Publication type:

Article

Distinct binding of cetirizine enantiomers to human serum albumin and the human histamine receptor H<sub>1</sub>.

Published in:

Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 10, p. 1045, doi. 10.1007/s10822-020-00328-8

By:

Perona, Almudena;
Ros, M. Piedad;
Mills, Alberto;
Morreale, Antonio;
Gago, Federico

Publication type:

Article

Atomistic insight into sequence-directed DNA bending and minicircle formation propensity in the absence and presence of phased A-tracts.

Published in:

Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 3, p. 253, doi. 10.1007/s10822-020-00288-z

By:

Mills, Alberto;
Gago, Federico

Publication type:

Article

How computational chemistry develops: a tribute to Peter Goodford.

Published in:

2019

By:

Cruciani, Gabriele;
Martin, Yvonne;
Vinter, Andy;
Lewis, Richard;
Gago, Federico;
Stouch, Terry R.

Publication type:

Editorial

Unravelling the covalent binding of zampanolide and taccalonolide AJ to a minimalist representation of a human microtubule.

Published in:

Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 7, p. 627, doi. 10.1007/s10822-019-00208-w

By:

Sánchez-Murcia, Pedro A.;
Mills, Alberto;
Cortés-Cabrera, Álvaro;
Gago, Federico

Publication type:

Article

Structural rationale for the cross-resistance of tumor cells bearing the A399V variant of elongation factor eEF1A1 to the structurally unrelated didemnin B, ternatin, nannocystin A and ansatrienin B.

Published in:

Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 10, p. 915, doi. 10.1007/s10822-017-0066-x

By:

Sánchez-Murcia, Pedro;
Cortés-Cabrera, Álvaro;
Gago, Federico

Publication type:

Article

AtlasCBS: a web server to map and explore chemico-biological space.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 9, p. 995, doi. 10.1007/s10822-012-9587-5

By:

Cortés-Cabrera, Álvaro;
Morreale, Antonio;
Gago, Federico;
Abad-Zapatero, Celerino

Publication type:

Article

A reverse combination of structure-based and ligand-based strategies for virtual screening.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 3, p. 319, doi. 10.1007/s10822-012-9558-x

By:

Cortés-Cabrera, Álvaro;
Gago, Federico;
Morreale, Antonio

Publication type:

Article

Reflections on the past 25 years.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 45, doi. 10.1007/s10822-011-9510-5

By:

Gago, Federico

Publication type:

Article

Characterization of an atypical, thermostable, organic solvent- and acid-tolerant 2′-deoxyribosyltransferase from Chroococcidiopsis thermalis.

Published in:

Applied Microbiology & Biotechnology, 2018, v. 102, n. 16, p. 6947, doi. 10.1007/s00253-018-9134-y

By:

Del Arco, Jon;
Sánchez-Murcia, Pedro Alejandro;
Mancheño, José Miguel;
Gago, Federico;
Fernández-Lucas, Jesús

Publication type:

Article

Enzymatic Synthesis of Therapeutic Nucleosides using a Highly Versatile Purine Nucleoside 2'‐DeoxyribosylTransferase from Trypanosoma brucei.

Published in:

ChemCatChem, 2018, v. 10, n. 19, p. 4406, doi. 10.1002/cctc.201800775

By:

Pérez, Elena;
Fernández‐Lucas, Jesús;
Sánchez‐Murcia, Pedro A.;
Jordaan, Justin;
Blanco, María Dolores;
Mancheño, José Miguel;
Gago, Federico

Publication type:

Article

Identification of NEK3 and MOK as novel targets for lithium.

Published in:

Chemical Biology & Drug Design, 2019, v. 93, n. 5, p. 965, doi. 10.1111/cbdd.13487

By:

Bravo, Ana;
Lucio, Héctor;
Sánchez‐Murcia, Pedro A.;
Jiménez‐Ruiz, Antonio;
Petrone, Paula M.;
Gago, Federico;
Cortés Cabrera, Alvaro

Publication type:

Article

Structural Cues for Understanding eEF1A2 Moonlighting.

Published in:

ChemBioChem, 2021, v. 22, n. 2, p. 374, doi. 10.1002/cbic.202000516

By:

Carriles, Alejandra A.;
Mills, Alberto;
Muñoz‐Alonso, María‐José;
Gutiérrez, Dolores;
Domínguez, Juan M.;
Hermoso, Juan A.;
Gago, Federico

Publication type:

Article

Front Cover: Structural Cues for Understanding eEF1A2 Moonlighting (ChemBioChem 2/2021).

Published in:

ChemBioChem, 2021, v. 22, n. 2, p. 260, doi. 10.1002/cbic.202000859

By:

Carriles, Alejandra A.;
Mills, Alberto;
Muñoz‐Alonso, María‐José;
Gutiérrez, Dolores;
Domínguez, Juan M.;
Hermoso, Juan A.;
Gago, Federico

Publication type:

Article

Structure‐Guided Tuning of a Selectivity Switch towards Ribonucleosides in Trypanosoma brucei Purine Nucleoside 2′‐Deoxyribosyltransferase.

Published in:

ChemBioChem, 2019, v. 20, n. 24, p. 2996, doi. 10.1002/cbic.201900397

By:

Del Arco, Jon;
Mills, Alberto;
Gago, Federico;
Fernández‐Lucas, Jesús

Publication type:

Article

Differential phenotypic expression of a novel PDHA1 mutation in a female monozygotic twin pair.

Published in:

Human Genetics, 2019, v. 138, n. 11/12, p. 1313, doi. 10.1007/s00439-019-02075-9

By:

Horga, Alejandro;
Woodward, Catherine E.;
Mills, Alberto;
Pareés, Isabel;
Hargreaves, Iain P.;
Brown, Ruth M.;
Bugiardini, Enrico;
Brooks, Tony;
Manole, Andreea;
Remzova, Elena;
Rahman, Shamima;
Reilly, Mary M.;
Houlden, Henry;
Sweeney, Mary G.;
Brown, Garry K.;
Polke, James M.;
Gago, Federico;
Parton, Matthew J.;
Pitceathly, Robert D. S.;
Hanna, Michael G.

Publication type:

Article

5′-Trityl-Substituted Thymidine Derivatives as a Novel Class of Antileishmanial Agents: Leishmania infantum EndoG as a Potential Target.

Published in:

ChemMedChem, 2013, v. 8, n. 7, p. 1161, doi. 10.1002/cmdc.201300129

By:

Casanova, Elena;
Moreno, David;
Gigante, Alba;
Rico, Eva;
Genes, Carlos Mario;
Oliva, Cristina;
Camarasa, María‐José;
Gago, Federico;
Jiménez‐Ruiz, Antonio;
Pérez‐Pérez, María‐Jesús

Publication type:

Article

Comparative Binding Energy (COMBINE) Analysis for Understanding the Binding Determinants of Type II Dehydroquinase Inhibitors.

Published in:

ChemMedChem, 2013, v. 8, n. 5, p. 740, doi. 10.1002/cmdc.201300013

By:

Peón, Antonio;
Coderch, Claire;
Gago, Federico;
González‐Bello, Concepción

Publication type:

Article

Comparative Binding Energy (COMBINE) Analysis Supports a Proposal for the Binding Mode of Epothilones to β-Tubulin.

Published in:

ChemMedChem, 2012, v. 7, n. 5, p. 836, doi. 10.1002/cmdc.201200065

By:

Coderch, Claire;
Klett, Javier;
Morreale, Antonio;
Díaz, J. Fernando;
Gago, Federico

Publication type:

Article

Exploring Acyclic Nucleoside Analogues as Inhibitors of Mycobacterium tuberculosis Thymidylate Kinase.

Published in:

ChemMedChem, 2008, v. 3, n. 7, p. 1083, doi. 10.1002/cmdc.200800060

By:

Familiar, Olga;
Munier-Lehmann, Hélène;
Negri, Ana;
Gago, Federico;
Douguet, Dominique;
Rigouts, Leen;
Hernández, Ana-Isabel;
Camarasa, María-José;
Pérez-Pérez, María-Jesús

Publication type:

Article

Overcoming the Inadequacies or Limitations of Experimental Structures as Drug Targets by Using Computational Modeling Tools and Molecular Dynamics Simulations.

Published in:

ChemMedChem, 2007, v. 2, n. 10, p. 1388, doi. 10.1002/cmdc.200700087

By:

Marco, Esther;
Gago, Federico

Publication type:

Article

A Designed Non-Peptidic Receptor that Mimics the Phosphocholine Binding Site of the McPC603 Antibody.

Published in:

Angewandte Chemie International Edition, 1996, v. 35, n. 15, p. 1712, doi. 10.1002/anie.199617121

By:

Magrans, J. Oriol;
Ortiz, Angel R.;
Molins, M. Antònia;
Lebouille, Paul H. P.;
Sánchez-Quesada, Jorge;
Prados, Pilar;
Pons, Miquel;
Gago, Federico;
de Mendoza, Javier

Publication type:

Article

Viral engagement with host (co-)receptors blocked by a novel class of tryptophan dendrimers that targets the 5-fold-axis of the enterovirus-A71 capsid.

Published in:

PLoS Pathogens, 2019, v. 15, n. 5, p. 1, doi. 10.1371/journal.ppat.1007760

By:

Sun, Liang;
Lee, Hyunwook;
Thibaut, Hendrik Jan;
Lanko, Kristina;
Rivero-Buceta, Eva;
Bator, Carol;
Martinez-Gualda, Belen;
Dallmeier, Kai;
Delang, Leen;
Leyssen, Pieter;
Gago, Federico;
San-Félix, Ana;
Hafenstein, Susan;
Mirabelli, Carmen;
Neyts, Johan

Publication type:

Article

Mechanistic insight into the reaction catalysed by bacterial type II dehydroquinases.

Published in:

Biochemical Journal, 2014, v. 458, n. 3, p. 547, doi. 10.1042/BJ20131103

By:

CODERCH, Claire;
LENCE, Emilio;
PEON, Antonio;
LAMB, Heather;
HAWKINS, Alastair R.;
GAGO, Federico;
GONZALEZ-BELLO, Concepcion

Publication type:

Article

Hiv-1 Specific Reverse Transcriptase Inhibitors: why are Tsao-Nucleosides so Unique?

Published in:

Journal of Carbohydrate Chemistry, 2000, v. 19, n. 4/5, p. 451, doi. 10.1080/07328300008544093

By:

Camarasa, María José;
San-Félix, Ana;
Pérez-Pérez, María Jesús;
Velázquez, Sonsoles;
Alvarez, Rosa;
Chamorro, Cristina;
Jimeno, María Luisa;
Pérez, Carlos;
Gago, Federico;
De Clercq, Erik;
Balzarini, Jan

Publication type:

Article

Computational Approaches to Enzyme Inhibition by Marine Natural Products in the Search for New Drugs.

Published in:

Marine Drugs, 2023, v. 21, n. 2, p. 100, doi. 10.3390/md21020100

By:

Gago, Federico

Publication type:

Article

Characterization of pyrimidine nucleoside phosphorylase of Mycoplasma hyorhinis: implications for the clinical efficacy of nucleoside analogues.

Published in:

Biochemical Journal, 2012, v. 445, n. 1, p. 113, doi. 10.1042/BJ20112225

By:

VOORDE, Johan VANDE;
GAGO, Federico;
VRANCKEN, Kristof;
LIEKENS, Sandra;
BALZARINI, Jan

Publication type:

Article

The structure and flexibility analysis of the Arabidopsis synaptotagmin 1 reveal the basis of its regulation at membrane contact sites.

Published in:

Life Science Alliance, 2021, v. 4, n. 10, p. 1, doi. 10.26508/lsa.202101152

By:

Benavente, Juan L.;
Siliqi, Dritan;
Infantes, Lourdes;
Lagartera, Laura;
Mills, Alberto;
Gago, Federico;
Ruiz-López, Noemı;
Botella, Miguel A.;
Sanchez-Barrena, Marıa J.;
Albert, Armando

Publication type:

Article

Structural insight into the stabilization of microtubules by taxanes.

Published in:

eLife, 2023, p. 1, doi. 10.7554/eLife.84791

By:

Prota, Andrea E.;
Lucena-Agell, Daniel;
Yuntao Ma;
Estevez-Gallego, Juan;
Shuo Li;
Bargsten, Katja;
Josa-Prado, Fernando;
Altmann, Karl-Heinz;
Gaillard, Natacha;
Shinji Kamimura;
Mühlethaler, Tobias;
Gago, Federico;
Oliva, Maria A.;
Steinmetz, Michel O.;
Wei-Shuo Fang;
Díaz, J. Fernando

Publication type:

Article

Insertion of an Amphipathic Linker in a Tetrapodal Tryptophan Derivative Leads to a Novel and Highly Potent Entry Inhibitor of Enterovirus A71 Clinical Isolates.

Published in:

International Journal of Molecular Sciences, 2023, v. 24, n. 4, p. 3539, doi. 10.3390/ijms24043539

By:

Martí-Marí, Olaia;
Abdelnabi, Rana;
Schols, Dominique;
Neyts, Johan;
Camarasa, María-José;
Gago, Federico;
San-Félix, Ana

Publication type:

Article

On the Need to Tell Apart Fraternal Twins eEF1A1 and eEF1A2, and Their Respective Outfits.

Published in:

International Journal of Molecular Sciences, 2021, v. 22, n. 13, p. 6973, doi. 10.3390/ijms22136973

By:

Mills, Alberto;
Gago, Federico

Publication type:

Article

A Supramolecular Stabilizer of the 14‐3‐3ζ/ERα Protein‐Protein Interaction with a Synergistic Mode of Action.

Published in:

Angewandte Chemie, 2020, v. 132, n. 13, p. 5322, doi. 10.1002/ange.201914517

By:

Gigante, Alba;
Sijbesma, Eline;
Sánchez‐Murcia, Pedro A.;
Hu, Xiaoyu;
Bier, David;
Bäcker, Sandra;
Knauer, Shirley;
Gago, Federico;
Ottmann, Christian;
Schmuck, Carsten

Publication type:

Article

Pseudoirreversible slow-binding inhibition of trypanothione reductase by a protein-protein interaction disruptor.

Published in:

2020

By:

Lucio, Héctor;
Toro, Miguel A.;
Camarasa, María‐José;
Velázquez, Sonsoles;
Gago, Federico;
Jiménez‐Ruiz, Antonio;
de Lucio, Héctor;
Camarasa, María-José;
Jiménez-Ruiz, Antonio

Publication type:

journal article

Inhibitory effects of marine-derived DNA-binding anti-tumour tetrahydroisoquinolines on the Fanconi anaemia pathway.

Published in:

British Journal of Pharmacology, 2013, v. 170, n. 4, p. 871, doi. 10.1111/bph.12331

By:

Martínez, Sandra;
Pérez, Laura;
Galmarini, Carlos M;
Aracil, Miguel;
Tercero, Juan C;
Gago, Federico;
Albella, Beatriz;
Bueren, Juan A

Publication type:

Article

Comparison of ultra-fast 2D and 3D ligand and target descriptors for side effect prediction and network analysis in polypharmacology.

Published in:

2013

By:

Cortés-Cabrera, Alvaro;
Morris, Garrett M;
Finn, Paul W;
Morreale, Antonio;
Gago, Federico

Publication type:

journal article

Comparison of ultra-fast 2 D and 3 D ligand and target descriptors for side effect prediction and network analysis in polypharmacology.

Published in:

British Journal of Pharmacology, 2013, v. 170, n. 3, p. 557, doi. 10.1111/bph.12294

By:

Cortés ‐ Cabrera, Alvaro;
Morris, Garrett M;
Finn, Paul W;
Morreale, Antonio;
Gago, Federico

Publication type:

Article

Structure-based domain assignment in Leishmania infantum EndoG: characterization of a pH-dependent regulatory switch and a C-terminal extension that largely dictates DNA substrate preferences.

Published in:

Nucleic Acids Research, 2017, v. 45, n. 15, p. 9030, doi. 10.1093/nar/gkx629

By:

Oliva, Cristina;
Sánchez-Murcia, Pedro A.;
Rico, Eva;
Bravo, Ana;
Menéndez, Margarita;
Gago, Federico;
Jiménez-Ruiz1, Antonio

Publication type:

Article