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Items: 1 to 50 of 53

1.

Macrocyclic Modalities Combining Peptide Epitopes and Natural Product Fragments.

Guéret SM, Thavam S, Carbajo RJ, Potowski M, Larsson N, Dahl G, Dells Eacute N A, Grossmann TN, Plowright AT, Valeur E, Lemurell M, Waldmann H.

J Am Chem Soc. 2020 Feb 14. doi: 10.1021/jacs.0c00269. [Epub ahead of print]

PMID:
32058716
2.

Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C.

Kettle JG, Bagal SK, Bickerton S, Bodnarchuk MS, Breed J, Carbajo RJ, Cassar DJ, Chakraborty A, Cosulich S, Cumming I, Davies M, Eatherton A, Evans L, Feron L, Fillery S, Gleave ES, Goldberg FW, Harlfinger S, Hanson L, Howard M, Howells R, Jackson A, Kemmitt P, Kingston JK, Lamont S, Lewis HJ, Li S, Liu L, Ogg D, Phillips C, Polanski R, Robb G, Robinson D, Ross S, Smith JM, Tonge M, Whiteley R, Yang J, Zhang L, Zhao X.

J Med Chem. 2020 Feb 13. doi: 10.1021/acs.jmedchem.9b01720. [Epub ahead of print]

PMID:
32023060
3.

Discovery of a Series of 5-Azaquinazolines as Orally Efficacious IRAK4 Inhibitors Targeting MyD88L265P Mutant Diffuse Large B Cell Lymphoma.

Degorce SL, Anjum R, Bloecher A, Carbajo RJ, Dillman KS, Drew L, Halsall CT, Lenz EM, Lindsay NA, Mayo MF, Pink JH, Robb GR, Rosen A, Scott JS, Xue Y.

J Med Chem. 2019 Nov 14;62(21):9918-9930. doi: 10.1021/acs.jmedchem.9b01346. Epub 2019 Nov 1.

PMID:
31622099
4.

Building Bridges in a Series of Estrogen Receptor Degraders: An Application of Metathesis in Medicinal Chemistry.

Scott JS, Breed J, Carbajo RJ, Davey PR, Greenwood R, Huynh HK, Klinowska T, Morrow CJ, Moss TA, Polanski R, Nissink JWM, Varnes J, Yang B.

ACS Med Chem Lett. 2019 Sep 23;10(10):1492-1497. doi: 10.1021/acsmedchemlett.9b00370. eCollection 2019 Oct 10.

PMID:
31620239
5.

Free Ligand 1D NMR Conformational Signatures To Enhance Structure Based Drug Design of a Mcl-1 Inhibitor (AZD5991) and Other Synthetic Macrocycles.

Balazs AYS, Carbajo RJ, Davies NL, Dong Y, Hird AW, Johannes JW, Lamb ML, McCoull W, Raubo P, Robb GR, Packer MJ, Chiarparin E.

J Med Chem. 2019 Nov 14;62(21):9418-9437. doi: 10.1021/acs.jmedchem.9b00716. Epub 2019 Aug 19.

PMID:
31361481
6.

Observing an Antisense Drug Complex in Intact Human Cells by in-Cell NMR Spectroscopy.

Schlagnitweit J, Friebe Sandoz S, Jaworski A, Guzzetti I, Aussenac F, Carbajo RJ, Chiarparin E, Pell AJ, Petzold K.

Chembiochem. 2019 Oct 1;20(19):2474-2478. doi: 10.1002/cbic.201900297. Epub 2019 Sep 17.

PMID:
31206961
7.

Tricyclic Indazoles-A Novel Class of Selective Estrogen Receptor Degrader Antagonists.

Scott JS, Bailey A, Buttar D, Carbajo RJ, Curwen J, Davey PRJ, Davies RDM, Degorce SL, Donald C, Gangl E, Greenwood R, Groombridge SD, Johnson T, Lamont S, Lawson M, Lister A, Morrow CJ, Moss TA, Pink JH, Polanski R.

J Med Chem. 2019 Feb 14;62(3):1593-1608. doi: 10.1021/acs.jmedchem.8b01837. Epub 2019 Jan 30.

PMID:
30640465
8.

Development of a Novel B-Cell Lymphoma 6 (BCL6) PROTAC To Provide Insight into Small Molecule Targeting of BCL6.

McCoull W, Cheung T, Anderson E, Barton P, Burgess J, Byth K, Cao Q, Castaldi MP, Chen H, Chiarparin E, Carbajo RJ, Code E, Cowan S, Davey PR, Ferguson AD, Fillery S, Fuller NO, Gao N, Hargreaves D, Howard MR, Hu J, Kawatkar A, Kemmitt PD, Leo E, Molina DM, O'Connell N, Petteruti P, Rasmusson T, Raubo P, Rawlins PB, Ricchiuto P, Robb GR, Schenone M, Waring MJ, Zinda M, Fawell S, Wilson DM.

ACS Chem Biol. 2018 Nov 16;13(11):3131-3141. doi: 10.1021/acschembio.8b00698. Epub 2018 Oct 17.

PMID:
30335946
9.

Correction to Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.

McCoull W, Abrams RD, Anderson E, Blades K, Barton P, Box M, Burgess J, Byth K, Cao Q, Chuaqui C, Carbajo RJ, Cheung T, Code E, Ferguson AD, Fillery S, Fuller NO, Gangl E, Gao N, Grist M, Hargreaves D, Howard MR, Hu J, Kemmitt PD, Nelson JE, O'Connell N, Prince DB, Raubo P, Rawlins PB, Robb GR, Shi J, Waring MJ, Whittaker D, Wylot M, Zhu X.

J Med Chem. 2017 Jul 27;60(14):6459. doi: 10.1021/acs.jmedchem.7b00962. Epub 2017 Jul 17. No abstract available.

PMID:
28714680
10.

Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.

McCoull W, Abrams RD, Anderson E, Blades K, Barton P, Box M, Burgess J, Byth K, Cao Q, Chuaqui C, Carbajo RJ, Cheung T, Code E, Ferguson AD, Fillery S, Fuller NO, Gangl E, Gao N, Grist M, Hargreaves D, Howard MR, Hu J, Kemmitt PD, Nelson JE, O'Connell N, Prince DB, Raubo P, Rawlins PB, Robb GR, Shi J, Waring MJ, Whittaker D, Wylot M, Zhu X.

J Med Chem. 2017 May 25;60(10):4386-4402. doi: 10.1021/acs.jmedchem.7b00359. Epub 2017 May 9. Erratum in: J Med Chem. 2017 Jul 27;60(14):6459.

PMID:
28485934
11.

In Vivo Detection of Perinatal Brain Metabolite Changes in a Rabbit Model of Intrauterine Growth Restriction (IUGR).

Simões RV, Muñoz-Moreno E, Carbajo RJ, González-Tendero A, Illa M, Sanz-Cortés M, Pineda-Lucena A, Gratacós E.

PLoS One. 2015 Jul 24;10(7):e0131310. doi: 10.1371/journal.pone.0131310. eCollection 2015.

12.

NMR structure of bitistatin – a missing piece in the evolutionary pathway of snake venom disintegrins.

Carbajo RJ, Sanz L, Perez A, Calvete JJ.

FEBS J. 2015 Jan;282(2):341-60. doi: 10.1111/febs.13138. Epub 2014 Nov 17.

13.

Apaf-1 inhibitors protect from unwanted cell death in in vivo models of kidney ischemia and chemotherapy induced ototoxicity.

Orzáez M, Sancho M, Marchán S, Mondragón L, Montava R, Valero JG, Landeta O, Basañez G, Carbajo RJ, Pineda-Lucena A, Bujons J, Moure A, Messeguer A, Lagunas C, Herrero C, Pérez-Payá E.

PLoS One. 2014 Oct 20;9(10):e110979. doi: 10.1371/journal.pone.0110979. eCollection 2014.

14.

Dietary gallic acid and anthocyanin cytotoxicity on human fibrosarcoma HT1080 cells. A study on the mode of action.

Filipiak K, Hidalgo M, Silvan JM, Fabre B, Carbajo RJ, Pineda-Lucena A, Ramos A, de Pascual-Teresa B, de Pascual-Teresa S.

Food Funct. 2014 Feb;5(2):381-9. doi: 10.1039/c3fo60465a.

PMID:
24413695
15.

Chemical shift assignments and secondary structure of the surrogate domain for drug discovery studies of human heparanase.

Mosulén S, Pineda-Lucena A, Carbajo RJ.

Biomol NMR Assign. 2015 Apr;9(1):15-9. doi: 10.1007/s12104-013-9536-9. Epub 2014 Jan 7.

PMID:
24395156
16.

Metabolomic profile of umbilical cord blood plasma from early and late intrauterine growth restricted (IUGR) neonates with and without signs of brain vasodilation.

Sanz-Cortés M, Carbajo RJ, Crispi F, Figueras F, Pineda-Lucena A, Gratacós E.

PLoS One. 2013 Dec 2;8(12):e80121. doi: 10.1371/journal.pone.0080121. eCollection 2013.

17.

Progress towards water-soluble triazole-based selective MMP-2 inhibitors.

Fabre B, Filipiak K, Zapico JM, Díaz N, Carbajo RJ, Schott AK, Martínez-Alcázar MP, Suárez D, Pineda-Lucena A, Ramos A, de Pascual-Teresa B.

Org Biomol Chem. 2013 Oct 14;11(38):6623-41. doi: 10.1039/c3ob41046c. Epub 2013 Aug 30.

PMID:
23989288
18.

Synthesis of fucosyl-N-acetylglucosamine disaccharides by transfucosylation using α-L-fucosidases from Lactobacillus casei.

Rodríguez-Díaz J, Carbajo RJ, Pineda-Lucena A, Monedero V, Yebra MJ.

Appl Environ Microbiol. 2013 Jun;79(12):3847-50. doi: 10.1128/AEM.00229-13. Epub 2013 Mar 29.

19.

Hit identification of novel heparanase inhibitors by structure- and ligand-based approaches.

Gozalbes R, Mosulén S, Ortí L, Rodríguez-Díaz J, Carbajo RJ, Melnyk P, Pineda-Lucena A.

Bioorg Med Chem. 2013 Apr 1;21(7):1944-51. doi: 10.1016/j.bmc.2013.01.033. Epub 2013 Jan 31.

PMID:
23415087
20.

Identification of first proadrenomedullin N-terminal 20 peptide (PAMP) modulator by means of virtual screening and NMR interaction experiments.

Roldós V, Carbajo RJ, Schott AK, Pineda-Lucena A, Ochoa-Callejero L, Martínez A, Ramos A, de Pascual-Teresa B.

Eur J Med Chem. 2012 Sep;55:262-72. doi: 10.1016/j.ejmech.2012.07.031. Epub 2012 Jul 27.

PMID:
22884224
21.

Novel compounds produced by Streptomyces lydicus NRRL 2433 engineered mutants altered in the biosynthesis of streptolydigin.

Gómez C, Olano C, Palomino-Schätzlein M, Pineda-Lucena A, Carbajo RJ, Braña AF, Méndez C, Salas JA.

J Antibiot (Tokyo). 2012 Jul;65(7):341-8. doi: 10.1038/ja.2012.37. Epub 2012 May 9.

PMID:
22569159
22.

Amino acid precursor supply in the biosynthesis of the RNA polymerase inhibitor streptolydigin by Streptomyces lydicus.

Gómez C, Horna DH, Olano C, Palomino-Schätzlein M, Pineda-Lucena A, Carbajo RJ, Braña AF, Méndez C, Salas JA.

J Bacteriol. 2011 Aug;193(16):4214-23. doi: 10.1128/JB.05062-11. Epub 2011 Jun 10.

23.

Minocycline inhibits cell death and decreases mutant Huntingtin aggregation by targeting Apaf-1.

Sancho M, Herrera AE, Gortat A, Carbajo RJ, Pineda-Lucena A, Orzáez M, Pérez-Payá E.

Hum Mol Genet. 2011 Sep 15;20(18):3545-53. doi: 10.1093/hmg/ddr271. Epub 2011 Jun 9.

PMID:
21659333
24.

NMR structure and dynamics of recombinant wild type and mutated jerdostatin, a selective inhibitor of integrin α1β1.

Carbajo RJ, Sanz L, Mosulén S, Pérez A, Marcinkiewicz C, Pineda-Lucena A, Calvete JJ.

Proteins. 2011 Aug;79(8):2530-42. doi: 10.1002/prot.23076. Epub 2011 Jun 7.

PMID:
21656569
25.

Potent "clicked" MMP2 inhibitors: synthesis, molecular modeling and biological exploration.

Zapico JM, Serra P, García-Sanmartín J, Filipiak K, Carbajo RJ, Schott AK, Pineda-Lucena A, Martínez A, Martín-Santamaría S, de Pascual-Teresa B, Ramos A.

Org Biomol Chem. 2011 Jun 21;9(12):4587-99. doi: 10.1039/c0ob00852d. Epub 2011 May 6.

PMID:
21552627
26.

Biosynthesis of the RNA polymerase inhibitor streptolydigin in Streptomyces lydicus: tailoring modification of 3-methyl-aspartate.

Horna DH, Gómez C, Olano C, Palomino-Schätzlein M, Pineda-Lucena A, Carbajo RJ, Braña AF, Méndez C, Salas JA.

J Bacteriol. 2011 May;193(10):2647-51. doi: 10.1128/JB.00108-11. Epub 2011 Mar 11.

27.

Characterization of dequalinium as a XIAP antagonist that targets the BIR2 domain.

Orzáez M, Gortat A, Sancho M, Carbajo RJ, Pineda-Lucena A, Palacios-Rodríguez Y, Pérez-Payá E.

Apoptosis. 2011 May;16(5):460-7. doi: 10.1007/s10495-011-0582-4.

28.

Polymer coiled-coil conjugates: potential for development as a new class of therapeutic "molecular switch".

Deacon SP, Apostolovic B, Carbajo RJ, Schott AK, Beck K, Vicent MJ, Pineda-Lucena A, Klok HA, Duncan R.

Biomacromolecules. 2011 Jan 10;12(1):19-27. doi: 10.1021/bm100843e. Epub 2010 Dec 8.

PMID:
21141810
29.

Antimicrobial peptides and their superior fluorinated analogues: structure-activity relationships as revealed by NMR spectroscopy and MD calculations.

Díaz MD, Palomino-Schätzlein M, Corzana F, Andreu C, Carbajo RJ, del Olmo M, Canales-Mayordomo A, Pineda-Lucena A, Asensio G, Jiménez-Barbero J.

Chembiochem. 2010 Nov 22;11(17):2424-32. doi: 10.1002/cbic.201000424.

PMID:
21077089
30.

Production of heparanase constructs suitable for nuclear magnetic resonance and drug discovery studies.

Mosulén S, Ortí L, Bas E, Carbajo RJ, Pineda-Lucena A.

Biopolymers. 2011 Feb;95(2):151-60. doi: 10.1002/bip.21549. Epub 2010 Sep 29.

PMID:
20882536
31.

Contributions of computational chemistry and biophysical techniques to fragment-based drug discovery.

Gozalbes R, Carbajo RJ, Pineda-Lucena A.

Curr Med Chem. 2010;17(17):1769-94. Review.

PMID:
20345344
32.

The Bronze Age of science in Spain.

Neira JL, Carbajo RJ.

EMBO Rep. 2010 Jan;11(1):12-3. doi: 10.1038/embor.2009.260. No abstract available.

33.

Nanoconjugates as intracorporeal neutralizers of bacterial endotoxins.

Vicent MJ, Cascales L, Carbajo RJ, Cortés N, Messeguer A, Pérez Payá E.

J Control Release. 2010 Mar 3;142(2):277-85. doi: 10.1016/j.jconrel.2009.10.026. Epub 2009 Oct 30.

PMID:
19883706
34.

Deciphering biosynthesis of the RNA polymerase inhibitor streptolydigin and generation of glycosylated derivatives.

Olano C, Gómez C, Pérez M, Palomino M, Pineda-Lucena A, Carbajo RJ, Braña AF, Méndez C, Salas JA.

Chem Biol. 2009 Oct 30;16(10):1031-44. doi: 10.1016/j.chembiol.2009.09.015.

35.

Generation of potent and selective kinase inhibitors by combinatorial biosynthesis of glycosylated indolocarbazoles.

Sánchez C, Salas AP, Braña AF, Palomino M, Pineda-Lucena A, Carbajo RJ, Méndez C, Moris F, Salas JA.

Chem Commun (Camb). 2009 Jul 21;(27):4118-20. doi: 10.1039/b905068j. Epub 2009 May 27.

PMID:
19568652
36.

Development and NMR validation of minimal pharmacophore hypotheses for the generation of fragment libraries enriched in heparanase inhibitors.

Gozalbes R, Mosulén S, Carbajo RJ, Pineda-Lucena A.

J Comput Aided Mol Des. 2009 Aug;23(8):555-69. doi: 10.1007/s10822-009-9269-0. Epub 2009 May 7.

PMID:
19421720
37.

A kernel for open source drug discovery in tropical diseases.

Ortí L, Carbajo RJ, Pieper U, Eswar N, Maurer SM, Rai AK, Taylor G, Todd MH, Pineda-Lucena A, Sali A, Marti-Renom MA.

PLoS Negl Trop Dis. 2009;3(4):e418. doi: 10.1371/journal.pntd.0000418. Epub 2009 Apr 21.

38.

A kernel for the Tropical Disease Initiative.

Ortí L, Carbajo RJ, Pieper U, Eswar N, Maurer SM, Rai AK, Taylor G, Todd MH, Pineda-Lucena A, Sali A, Marti-Renom MA.

Nat Biotechnol. 2009 Apr;27(4):320-1. doi: 10.1038/nbt0409-320. No abstract available.

39.

Polymer conjugates as therapeutics: future trends, challenges and opportunities.

Vicent MJ, Dieudonné L, Carbajo RJ, Pineda-Lucena A.

Expert Opin Drug Deliv. 2008 May;5(5):593-614. doi: 10.1517/17425247.5.5.593 . Review.

PMID:
18491984
40.

Spain should implement a model that's known to work.

Carbajo RJ, Neira JL, Farràs R.

Nature. 2008 May 1;453(7191):26-7. doi: 10.1038/453026c. No abstract available.

PMID:
18451830
41.

Polymer masked-unmasked protein therapy. 1. Bioresponsive dextrin-trypsin and -melanocyte stimulating hormone conjugates designed for alpha-amylase activation.

Duncan R, Gilbert HR, Carbajo RJ, Vicent MJ.

Biomacromolecules. 2008 Apr;9(4):1146-54. doi: 10.1021/bm701073n. Epub 2008 Mar 19.

PMID:
18348531
42.

Solvent-exposed residues located in the beta-sheet modulate the stability of the tetramerization domain of p53--a structural and combinatorial approach.

Mora P, Carbajo RJ, Pineda-Lucena A, Sánchez del Pino MM, Pérez-Payá E.

Proteins. 2008 Jun;71(4):1670-85.

PMID:
18076077
43.

Asymmetric synthesis of fluorinated amino macrolactones through ring-closing metathesis.

Fustero S, Fernández B, Sanz-Cervera JF, Mateu N, Mosulén S, Carbajo RJ, Pineda-Lucena A, Ramírez de Arellano C.

J Org Chem. 2007 Nov 9;72(23):8716-23. Epub 2007 Oct 10.

PMID:
17927250
44.

How the N-terminal domain of the OSCP subunit of bovine F1Fo-ATP synthase interacts with the N-terminal region of an alpha subunit.

Carbajo RJ, Kellas FA, Yang JC, Runswick MJ, Montgomery MG, Walker JE, Neuhaus D.

J Mol Biol. 2007 Apr 27;368(2):310-8. Epub 2007 Feb 22.

PMID:
17355883
45.

Structure of the F1-binding domain of the stator of bovine F1Fo-ATPase and how it binds an alpha-subunit.

Carbajo RJ, Kellas FA, Runswick MJ, Montgomery MG, Walker JE, Neuhaus D.

J Mol Biol. 2005 Aug 26;351(4):824-38.

PMID:
16045926
46.

Solution structure of subunit F(6) from the peripheral stalk region of ATP synthase from bovine heart mitochondria.

Carbajo RJ, Silvester JA, Runswick MJ, Walker JE, Neuhaus D.

J Mol Biol. 2004 Sep 10;342(2):593-603.

PMID:
15327958
47.

Homologous and heterologous inhibitory effects of ATPase inhibitor proteins on F-ATPases.

Cabezon E, Butler PJ, Runswick MJ, Carbajo RJ, Walker JE.

J Biol Chem. 2002 Nov 1;277(44):41334-41. Epub 2002 Aug 17.

48.

Synthesis of 9-deoxo-9a-aza-9a-homoerythromycin A 11,12-Hydrogen Borate and Azithromycin 11,12-Hydrogen Borate. A New Procedure to Obtain Azithromycin Dihydrate.

Bayod-Jasanada M, Carbajo RJ, López-Ortiz F.

J Org Chem. 1997 Oct 17;62(21):7479-7481. No abstract available.

PMID:
11671869
49.

Solution structure of a C-terminal coiled-coil domain from bovine IF(1): the inhibitor protein of F(1) ATPase.

Gordon-Smith DJ, Carbajo RJ, Yang JC, Videler H, Runswick MJ, Walker JE, Neuhaus D.

J Mol Biol. 2001 Apr 27;308(2):325-39.

PMID:
11327770
50.

Solution studies of chymotrypsin inhibitor-2 glutamine insertion mutants show no interglutamine interactions.

Gordon-Smith DJ, Carbajo RJ, Stott K, Neuhaus D.

Biochem Biophys Res Commun. 2001 Jan 26;280(3):855-60.

PMID:
11162601

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