Format
Sort by
Items per page

Send to

Choose Destination

Search results

Items: 1 to 50 of 215

1.

Self-Esteem Related to Quality of Life in Patients Over 60 Years Old Who Received an Orthotopic Liver Transplantation More Than 10 Years Ago.

Jover-Aguilar M, Martínez-Alarcón L, Ramis G, Gago FA, Pons JA, Ríos A, Febrero B, García CC, Hiciano Guillermo AI, Ramírez P.

Transplant Proc. 2020 Feb 10. pii: S0041-1345(19)31200-X. doi: 10.1016/j.transproceed.2019.12.017. [Epub ahead of print]

PMID:
32057494
2.

Tuning melatonin receptor subtype selectivity in oxadiazolone-based analogues: Discovery of QR2 ligands and NRF2 activators with neurogenic properties.

Herrera-Arozamena C, Estrada-Valencia M, Pérez C, Lagartera L, Morales-García JA, Pérez-Castillo A, Franco-Gonzalez JF, Michalska P, Duarte P, León R, López MG, Mills A, Gago F, García-Yagüe ÁJ, Fernández-Ginés R, Cuadrado A, Rodríguez-Franco MI.

Eur J Med Chem. 2020 Jan 25;190:112090. doi: 10.1016/j.ejmech.2020.112090. [Epub ahead of print]

PMID:
32018096
3.

Recognition and activation of the plant AKT1 potassium channel by the kinase CIPK23.

Sanchez-Barrena MJ, Chaves-Sanjuan A, Raddatz N, Mendoza I, Cortes A, Gago F, Gonzalez-Rubio JM, Benavente JL, Quintero FJ, Pardo JM, Albert A.

Plant Physiol. 2020 Feb 3. pii: pp.01084.2019. doi: 10.1104/pp.19.01084. [Epub ahead of print]

4.

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

Mills A, Gago F.

J Comput Aided Mol Des. 2020 Jan 16. doi: 10.1007/s10822-020-00288-z. [Epub ahead of print]

PMID:
31950463
5.

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

Gigante A, Sijbesma E, Sánchez-Murcia PA, Hu X, Bier D, Bäcker S, Knauer S, Gago F, Ottmann C, Schmuck C.

Angew Chem Int Ed Engl. 2019 Dec 9. doi: 10.1002/anie.201914517. [Epub ahead of print]

PMID:
31814236
6.

Generation of endoplasmic reticulum stress and inhibition of autophagy by plitidepsin induces proteotoxic apoptosis in cancer cells.

Losada A, Berlanga JJ, Molina-Guijarro JM, Jiménez-Ruiz A, Gago F, Avilés P, de Haro C, Martínez-Leal JF.

Biochem Pharmacol. 2020 Feb;172:113744. doi: 10.1016/j.bcp.2019.113744. Epub 2019 Dec 6.

PMID:
31812675
7.

Scaffold Simplification Strategy Leads to a Novel Generation of Dual Human Immunodeficiency Virus and Enterovirus-A71 Entry Inhibitors.

Martínez-Gualda B, Sun L, Martí-Marí O, Noppen S, Abdelnabi R, Bator CM, Quesada E, Delang L, Mirabelli C, Lee H, Schols D, Neyts J, Hafenstein S, Camarasa MJ, Gago F, San-Félix A.

J Med Chem. 2020 Jan 9;63(1):349-368. doi: 10.1021/acs.jmedchem.9b01737. Epub 2019 Dec 20.

PMID:
31809045
8.

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

Horga A, Woodward CE, Mills A, Pareés I, Hargreaves IP, Brown RM, Bugiardini E, Brooks T, Manole A, Remzova E, Rahman S, Reilly MM, Houlden H, Sweeney MG, Brown GK, Polke JM, Gago F, Parton MJ, Pitceathly RDS, Hanna MG.

Hum Genet. 2019 Dec;138(11-12):1313-1322. doi: 10.1007/s00439-019-02075-9. Epub 2019 Oct 31.

9.

How computational chemistry develops: a tribute to Peter Goodford.

Cruciani G, Martin Y, Vinter A, Lewis R, Gago F, Stouch TR.

J Comput Aided Mol Des. 2019 Aug;33(8):699-703. doi: 10.1007/s10822-019-00217-9.

PMID:
31435893
10.

Reaction mechanism of nucleoside 2'-deoxyribosyltransferases: free-energy landscape supports an oxocarbenium ion as the reaction intermediate.

Del Arco J, Perona A, González L, Fernández-Lucas J, Gago F, Sánchez-Murcia PA.

Org Biomol Chem. 2019 Aug 28;17(34):7891-7899. doi: 10.1039/c9ob01315f.

PMID:
31397456
11.

Clinical Implications of Transcriptomic Changes After Neoadjuvant Chemotherapy in Patients with Triple-Negative Breast Cancer.

Orozco JIJ, Grumley JG, Matsuba C, Manughian-Peter AO, Chang SC, Chang G, Gago FE, Salomon MP, Marzese DM.

Ann Surg Oncol. 2019 Oct;26(10):3185-3193. doi: 10.1245/s10434-019-07567-6. Epub 2019 Jul 24.

PMID:
31342395
12.

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

Del Arco J, Mills A, Gago F, Fernández-Lucas J.

Chembiochem. 2019 Dec 13;20(24):2996-3000. doi: 10.1002/cbic.201900397. Epub 2019 Oct 18.

PMID:
31264760
13.

(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.

de Castro S, Ferrer-Orta C, Mills A, Fernández-Cureses G, Gago F, Verdaguer N, Camarasa MJ.

Molecules. 2019 Jun 26;24(13). pii: E2360. doi: 10.3390/molecules24132360.

14.

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

Zhao Y, Wang TE, Mills A, Gago F, Fang WS.

Molecules. 2019 Jun 8;24(11). pii: E2161. doi: 10.3390/molecules24112161.

15.

PBDE serum concentration and preschool maturity of children from Slovakia.

Drobná B, Fabišiková A, Čonka K, Gago F, Oravcová P, Wimmerová S, Oktapodas Feiler M, Šovčíková E.

Chemosphere. 2019 Oct;233:387-395. doi: 10.1016/j.chemosphere.2019.05.284. Epub 2019 May 30.

PMID:
31176902
16.

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

Sánchez-Murcia PA, Mills A, Cortés-Cabrera Á, Gago F.

J Comput Aided Mol Des. 2019 Jul;33(7):627-644. doi: 10.1007/s10822-019-00208-w. Epub 2019 May 31.

PMID:
31152293
17.

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

Sun L, Lee H, Thibaut HJ, Lanko K, Rivero-Buceta E, Bator C, Martinez-Gualda B, Dallmeier K, Delang L, Leyssen P, Gago F, San-Félix A, Hafenstein S, Mirabelli C, Neyts J.

PLoS Pathog. 2019 May 9;15(5):e1007760. doi: 10.1371/journal.ppat.1007760. eCollection 2019 May.

18.

Pyrrolopyrimidine vs Imidazole-Phenyl-Thiazole Scaffolds in Nonpeptidic Dimerization Inhibitors of Leishmania infantum Trypanothione Reductase.

Revuelto A, Ruiz-Santaquiteria M, de Lucio H, Gamo A, Carriles AA, Gutiérrez KJ, Sánchez-Murcia PA, Hermoso JA, Gago F, Camarasa MJ, Jiménez-Ruiz A, Velázquez S.

ACS Infect Dis. 2019 Jun 14;5(6):873-891. doi: 10.1021/acsinfecdis.8b00355. Epub 2019 Apr 23.

PMID:
30983322
19.

Cold-induced aldimine bond cleavage by Tris in Bacillus subtilis alanine racemase.

Bernardo-García N, Sánchez-Murcia PA, Espaillat A, Martínez-Caballero S, Cava F, Hermoso JA, Gago F.

Org Biomol Chem. 2019 Apr 24;17(17):4350-4358. doi: 10.1039/c9ob00223e.

PMID:
30977502
20.

Identification of NEK3 and MOK as novel targets for lithium.

Bravo A, de Lucio H, Sánchez-Murcia PA, Jiménez-Ruiz A, Petrone PM, Gago F, Cortés Cabrera A.

Chem Biol Drug Des. 2019 May;93(5):965-969. doi: 10.1111/cbdd.13487. Epub 2019 Feb 12.

PMID:
30667602
21.

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

Losada A, Muñoz-Alonso MJ, Martínez-Díez M, Gago F, Domínguez JM, Martínez-Leal JF, Galmarini CM.

Br J Cancer. 2018 Nov;119(11):1410-1420. doi: 10.1038/s41416-018-0336-y. Epub 2018 Nov 13.

22.

Investigation of the complexation between cyclodextrins and medetomidine enantiomers by capillary electrophoresis, NMR spectroscopy and molecular modeling.

Krait S, Salgado A, Chankvetadze B, Gago F, Scriba GKE.

J Chromatogr A. 2018 Sep 14;1567:198-210. doi: 10.1016/j.chroma.2018.06.010. Epub 2018 Jun 6.

PMID:
30055912
23.

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

Del Arco J, Sánchez-Murcia PA, Mancheño JM, Gago F, Fernández-Lucas J.

Appl Microbiol Biotechnol. 2018 Aug;102(16):6947-6957. doi: 10.1007/s00253-018-9134-y. Epub 2018 Jun 5.

PMID:
29872887
24.

High-affinity ligands of the colchicine domain in tubulin based on a structure-guided design.

Bueno O, Estévez Gallego J, Martins S, Prota AE, Gago F, Gómez-SanJuan A, Camarasa MJ, Barasoain I, Steinmetz MO, Díaz JF, Pérez-Pérez MJ, Liekens S, Priego EM.

Sci Rep. 2018 Mar 9;8(1):4242. doi: 10.1038/s41598-018-22382-x.

25.

Trypanothione reductase inhibition and anti-leishmanial activity of all-hydrocarbon stapled α-helical peptides with improved proteolytic stability.

Ruiz-Santaquiteria M, de Castro S, Toro MA, de Lucio H, Gutiérrez KJ, Sánchez-Murcia PA, Jiménez MÁ, Gago F, Jiménez-Ruiz A, Camarasa MJ, Velázquez S.

Eur J Med Chem. 2018 Apr 10;149:238-247. doi: 10.1016/j.ejmech.2018.02.071. Epub 2018 Feb 24.

PMID:
29501944
26.

Engineering Erg10 Thiolase from Saccharomyces cerevisiae as a Synthetic Toolkit for the Production of Branched-Chain Alcohols.

Torres-Salas P, Bernal V, López-Gallego F, Martínez-Crespo J, Sánchez-Murcia PA, Barrera V, Morales-Jiménez R, García-Sánchez A, Mañas-Fernández A, Seoane JM, Sagrera Polo M, Miranda JD, Calvo J, Huertas S, Torres JL, Alcalde-Bascones A, González-Barrera S, Gago F, Morreale A, González-Barroso MDM.

Biochemistry. 2018 Feb 27;57(8):1338-1348. doi: 10.1021/acs.biochem.7b01186. Epub 2018 Feb 6.

PMID:
29360348
27.

A Series of Enthalpically Optimized Docetaxel Analogues Exhibiting Enhanced Antitumor Activity and Water Solubility.

Ma YT, Yang Y, Cai P, Sun DY, Sánchez-Murcia PA, Zhang XY, Jia WQ, Lei L, Guo M, Gago F, Wang H, Fang WS.

J Nat Prod. 2018 Mar 23;81(3):524-533. doi: 10.1021/acs.jnatprod.7b00857. Epub 2018 Jan 23.

PMID:
29359935
28.

Structural rationale for the chiral separation and migration order reversal of clenpenterol enantiomers in capillary electrophoresis using two different β-cyclodextrins.

Salgado A, Tatunashvili E, Gogolashvili A, Chankvetadze B, Gago F.

Phys Chem Chem Phys. 2017 Oct 25;19(41):27935-27939. doi: 10.1039/c7cp04761d.

PMID:
29022621
29.

Improved proteolytic stability and potent activity against Leishmania infantum trypanothione reductase of α/β-peptide foldamers conjugated to cell-penetrating peptides.

de Lucio H, Gamo AM, Ruiz-Santaquiteria M, de Castro S, Sánchez-Murcia PA, Toro MA, Gutiérrez KJ, Gago F, Jiménez-Ruiz A, Camarasa MJ, Velázquez S.

Eur J Med Chem. 2017 Nov 10;140:615-623. doi: 10.1016/j.ejmech.2017.09.032. Epub 2017 Sep 21.

PMID:
29017116
30.

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.

Oliva C, Sánchez-Murcia PA, Rico E, Bravo A, Menéndez M, Gago F, Jiménez-Ruiz A.

Nucleic Acids Res. 2017 Sep 6;45(15):9030-9045. doi: 10.1093/nar/gkx629.

31.

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.

Sánchez-Murcia PA, Cortés-Cabrera Á, Gago F.

J Comput Aided Mol Des. 2017 Oct;31(10):915-928. doi: 10.1007/s10822-017-0066-x. Epub 2017 Sep 12.

PMID:
28900796
32.

Making sense of the past: hyperstability of ancestral thioredoxins explained by free energy simulations.

Cortés Cabrera Á, Sánchez-Murcia PA, Gago F.

Phys Chem Chem Phys. 2017 Aug 30;19(34):23239-23246. doi: 10.1039/c7cp03659k.

PMID:
28825743
33.

2'-Deoxyribosyltransferase from Leishmania mexicana, an efficient biocatalyst for one-pot, one-step synthesis of nucleosides from poorly soluble purine bases.

Crespo N, Sánchez-Murcia PA, Gago F, Cejudo-Sanches J, Galmes MA, Fernández-Lucas J, Mancheño JM.

Appl Microbiol Biotechnol. 2017 Oct;101(19):7187-7200. doi: 10.1007/s00253-017-8450-y. Epub 2017 Aug 7.

PMID:
28785897
34.

TP73 DNA methylation and upregulation of ΔNp73 are associated with an adverse prognosis in breast cancer.

Gomez LC, Sottile ML, Guerrero-Gimenez ME, Zoppino FCM, Redondo AL, Gago FE, Orozco JI, Tello OM, Roqué M, Nadin SB, Marzese DM, Vargas-Roig LM.

J Clin Pathol. 2018 Jan;71(1):52-58. doi: 10.1136/jclinpath-2017-204499. Epub 2017 Jul 25.

PMID:
28743687
35.

First example of peptides targeting the dimer interface of Leishmania infantum trypanothione reductase with potent in vitro antileishmanial activity.

Ruiz-Santaquiteria M, Sánchez-Murcia PA, Toro MA, de Lucio H, Gutiérrez KJ, de Castro S, Carneiro FAC, Gago F, Jiménez-Ruiz A, Camarasa MJ, Velázquez S.

Eur J Med Chem. 2017 Jul 28;135:49-59. doi: 10.1016/j.ejmech.2017.04.020. Epub 2017 Apr 13.

36.

Structural Determinants of the Dictyostatin Chemotype for Tubulin Binding Affinity and Antitumor Activity Against Taxane- and Epothilone-Resistant Cancer Cells.

Trigili C, Barasoain I, Sánchez-Murcia PA, Bargsten K, Redondo-Horcajo M, Nogales A, Gardner NM, Meyer A, Naylor GJ, Gómez-Rubio E, Gago F, Steinmetz MO, Paterson I, Prota AE, Díaz JF.

ACS Omega. 2016 Dec 31;1(6):1192-1204. doi: 10.1021/acsomega.6b00317. Epub 2016 Dec 13.

37.

Modular Architecture and Unique Teichoic Acid Recognition Features of Choline-Binding Protein L (CbpL) Contributing to Pneumococcal Pathogenesis.

Gutiérrez-Fernández J, Saleh M, Alcorlo M, Gómez-Mejía A, Pantoja-Uceda D, Treviño MA, Voß F, Abdullah MR, Galán-Bartual S, Seinen J, Sánchez-Murcia PA, Gago F, Bruix M, Hammerschmidt S, Hermoso JA.

Sci Rep. 2016 Dec 5;6:38094. doi: 10.1038/srep38094.

38.

Translation Elongation Factor eEF1A2 is a Novel Anticancer Target for the Marine Natural Product Plitidepsin.

Losada A, Muñoz-Alonso MJ, García C, Sánchez-Murcia PA, Martínez-Leal JF, Domínguez JM, Lillo MP, Gago F, Galmarini CM.

Sci Rep. 2016 Oct 7;6:35100. doi: 10.1038/srep35100.

39.

Stepwise Simulation of 3,5-Dihydro-5-methylidene-4H-imidazol-4-one (MIO) Biogenesis in Histidine Ammonia-lyase.

Sánchez-Murcia PA, Bueren-Calabuig JA, Camacho-Artacho M, Cortés-Cabrera Á, Gago F.

Biochemistry. 2016 Oct 18;55(41):5854-5864. doi: 10.1021/acs.biochem.6b00744. Epub 2016 Oct 10.

PMID:
27682658
40.

A functional BH3 domain in an aquaporin from Leishmania infantum.

Genes CM, de Lucio H, González VM, Sánchez-Murcia PA, Rico E, Gago F, Fasel N, Jiménez-Ruiz A.

Cell Death Discov. 2016 Jul 4;2:16043. doi: 10.1038/cddiscovery.2016.43. eCollection 2016.

41.

Pro-death activity of a BH3 domain in an aquaporin from the protozoan parasite Leishmania.

Genes CM, de Lucio H, Sánchez-Murcia PA, Gago F, Jiménez-Ruiz A.

Cell Death Dis. 2016 Jul 28;7(7):e2318. doi: 10.1038/cddis.2016.229. No abstract available.

42.

Asymmetric Cancer Hallmarks in Breast Tumors on Different Sides of the Body.

Campoy EM, Laurito SR, Branham MT, Urrutia G, Mathison A, Gago F, Orozco J, Urrutia R, Mayorga LS, Roqué M.

PLoS One. 2016 Jul 6;11(7):e0157416. doi: 10.1371/journal.pone.0157416. eCollection 2016.

43.

Restoration of Microtubule Interaction and Cytotoxicity in D-seco Taxanes upon Incorporation of 20-Hydroxymethyl-4-allyloxy Groups.

Wang SR, Yang CG, Sánchez-Murcia PA, Snyder JP, Yan N, Sáez-Calvo G, Díaz JF, Gago F, Fang WS.

Org Lett. 2015 Dec 18;17(24):6098-101. doi: 10.1021/acs.orglett.5b03119. Epub 2015 Dec 9.

PMID:
26649936
44.

Epigenetic regulation of ID4 in the determination of the BRCAness phenotype in breast cancer.

Branham MT, Campoy E, Laurito S, Branham R, Urrutia G, Orozco J, Gago F, Urrutia R, Roqué M.

Breast Cancer Res Treat. 2016 Jan;155(1):13-23. doi: 10.1007/s10549-015-3648-0. Epub 2015 Nov 27.

45.

A novel C,D-spirodioxene taxoid synthesized through an unexpected Pd-mediated ring cyclization.

Wang SR, Sánchez-Murcia PA, Gago F, Fang WS.

Org Biomol Chem. 2016 Jan 7;14(1):345-52. doi: 10.1039/c5ob02131f.

PMID:
26603551
46.

Molecular Interactions and Implications of Aldose Reductase Inhibition by PGA1 and Clinically Used Prostaglandins.

Díez-Dacal B, Sánchez-Gómez FJ, Sánchez-Murcia PA, Milackova I, Zimmerman T, Ballekova J, García-Martín E, Agúndez JA, Gharbi S, Gago F, Stefek M, Pérez-Sala D.

Mol Pharmacol. 2016 Jan;89(1):42-52. doi: 10.1124/mol.115.100693. Epub 2015 Oct 20.

PMID:
26487510
47.

Conservation of antiviral activity and improved selectivity in PMEO-DAPym upon pyrimidine to triazine scaffold hopping.

de Castro S, Fernández-Cureses G, Andrei G, Snoeck R, Sánchez-Murcia PA, Korba B, Gago F, Balzarini J, Camarasa MJ.

Antiviral Res. 2015 Oct;122:64-8. doi: 10.1016/j.antiviral.2015.08.006. Epub 2015 Aug 11.

PMID:
26275802
48.

Enantioselective oxidation of galactitol 1-phosphate by galactitol-1-phosphate 5-dehydrogenase from Escherichia coli.

Benavente R, Esteban-Torres M, Kohring GW, Cortés-Cabrera Á, Sánchez-Murcia PA, Gago F, Acebrón I, de las Rivas B, Muñoz R, Mancheño JM.

Acta Crystallogr D Biol Crystallogr. 2015 Jul;71(Pt 7):1540-54. doi: 10.1107/S1399004715009281. Epub 2015 Jun 30.

PMID:
26143925
49.

A computational fragment-based de novo design protocol guided by ligand efficiency indices (LEI).

Cortés-Cabrera Á, Gago F, Morreale A.

Methods Mol Biol. 2015;1289:89-100. doi: 10.1007/978-1-4939-2486-8_8.

PMID:
25709035
50.

HER2 and β-catenin protein location: importance in the prognosis of breast cancer patients and their correlation when breast cancer cells suffer stressful situations.

Cuello-Carrión FD, Shortrede JE, Alvarez-Olmedo D, Cayado-Gutiérrez N, Castro GN, Zoppino FC, Guerrero M, Martinis E, Wuilloud R, Gómez NN, Biaggio V, Orozco J, Gago FE, Ciocca LA, Fanelli MA, Ciocca DR.

Clin Exp Metastasis. 2015 Feb;32(2):151-68. doi: 10.1007/s10585-015-9694-5. Epub 2015 Feb 1.

PMID:
25636904

Supplemental Content

Support Center