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Best matches for Martín-Santamaría S[au]:

Computational Approaches to Toll-Like Receptor 4 Modulation. Billod JM et al. Molecules. (2016)

Virtual Screening Approaches towards the Discovery of Toll-Like Receptor Modulators. Pérez-Regidor L et al. Int J Mol Sci. (2016)

Chemistry of lipid A: at the heart of innate immunity. Molinaro A et al. Chemistry. (2015)

Search results

Items: 1 to 50 of 51

1.

Enhancing Potency and Selectivity of a DC-SIGN Glycomimetic Ligand by Fragment-Based Design: Structural Basis.

Medve L, Achilli S, Guzman-Caldentey J, Thépaut M, Senaldi L, Le Roy A, Sattin S, Ebel C, Vivès C, Martin-Santamaria S, Bernardi A, Fieschi F.

Chemistry. 2019 Aug 30. doi: 10.1002/chem.201903391. [Epub ahead of print]

PMID:
31469191
2.

Insights into real-time chemical processes in a calcium sensor protein-directed dynamic library.

Canal-Martín A, Sastre J, Sánchez-Barrena MJ, Canales A, Baldominos S, Pascual N, Martínez-González L, Molero D, Fernández-Valle ME, Sáez E, Blanco-Gabella P, Gómez-Rubio E, Martín-Santamaría S, Sáiz A, Mansilla A, Cañada FJ, Jiménez-Barbero J, Martínez A, Pérez-Fernández R.

Nat Commun. 2019 Jun 26;10(1):2798. doi: 10.1038/s41467-019-10627-w.

3.

Characterisation of the Dynamic Interactions between Complex N-Glycans and Human CD22.

Di Carluccio C, Crisman E, Manabe Y, Forgione RE, Lacetera A, Amato J, Pagano B, Randazzo A, Zampella A, Lanzetta R, Fukase K, Molinaro A, Crocker PR, Martín-Santamaría S, Marchetti R, Silipo A.

Chembiochem. 2019 May 16. doi: 10.1002/cbic.201900295. [Epub ahead of print]

PMID:
31095840
4.

Minimizing the Entropy Penalty for Ligand Binding: Lessons from the Molecular Recognition of the Histo Blood-Group Antigens by Human Galectin-3.

Gimeno A, Delgado S, Valverde P, Bertuzzi S, Berbís MA, Echavarren J, Lacetera A, Martín-Santamaría S, Surolia A, Cañada FJ, Jiménez-Barbero J, Ardá A.

Angew Chem Int Ed Engl. 2019 May 27;58(22):7268-7272. doi: 10.1002/anie.201900723. Epub 2019 Apr 17.

5.

Novel carboxylate-based glycolipids: TLR4 antagonism, MD-2 binding and self-assembly properties.

Cochet F, Facchini FA, Zaffaroni L, Billod JM, Coelho H, Holgado A, Braun H, Beyaert R, Jerala R, Jimenez-Barbero J, Martin-Santamaria S, Peri F.

Sci Rep. 2019 Jan 29;9(1):919. doi: 10.1038/s41598-018-37421-w.

6.

Antagonistic Pleiotropy in the Bifunctional Surface Protein FadL (OmpP1) during Adaptation of Haemophilus influenzae to Chronic Lung Infection Associated with Chronic Obstructive Pulmonary Disease.

Moleres J, Fernández-Calvet A, Ehrlich RL, Martí S, Pérez-Regidor L, Euba B, Rodríguez-Arce I, Balashov S, Cuevas E, Liñares J, Ardanuy C, Martín-Santamaría S, Ehrlich GD, Mell JC, Garmendia J.

MBio. 2018 Sep 25;9(5). pii: e01176-18. doi: 10.1128/mBio.01176-18.

7.

Insights into the key determinants of membrane protein topology enable the identification of new monotopic folds.

Entova S, Billod JM, Swiecicki JM, Martín-Santamaría S, Imperiali B.

Elife. 2018 Aug 31;7. pii: e40889. doi: 10.7554/eLife.40889.

8.

Bradyrhizobium Lipid A: Immunological Properties and Molecular Basis of Its Binding to the Myeloid Differentiation Protein-2/Toll-Like Receptor 4 Complex.

Lembo-Fazio L, Billod JM, Di Lorenzo F, Paciello I, Pallach M, Vaz-Francisco S, Holgado A, Beyaert R, Fresno M, Shimoyama A, Lanzetta R, Fukase K, Gully D, Giraud E, Martín-Santamaría S, Bernardini ML, Silipo A.

Front Immunol. 2018 Aug 14;9:1888. doi: 10.3389/fimmu.2018.01888. eCollection 2018.

9.

Structure-Activity Relationship in Monosaccharide-Based Toll-Like Receptor 4 (TLR4) Antagonists.

Facchini FA, Zaffaroni L, Minotti A, Rapisarda S, Calabrese V, Forcella M, Fusi P, Airoldi C, Ciaramelli C, Billod JM, Schromm AB, Braun H, Palmer C, Beyaert R, Lapenta F, Jerala R, Pirianov G, Martin-Santamaria S, Peri F.

J Med Chem. 2018 Apr 12;61(7):2895-2909. doi: 10.1021/acs.jmedchem.7b01803. Epub 2018 Mar 12.

10.

Amphiphilic Guanidinocalixarenes Inhibit Lipopolysaccharide (LPS)- and Lectin-Stimulated Toll-like Receptor 4 (TLR4) Signaling.

Sestito SE, Facchini FA, Morbioli I, Billod JM, Martin-Santamaria S, Casnati A, Sansone F, Peri F.

J Med Chem. 2017 Jun 22;60(12):4882-4892. doi: 10.1021/acs.jmedchem.7b00095. Epub 2017 May 15.

PMID:
28471658
11.

Antibiotic Capture by Bacterial Lipocalins Uncovers an Extracellular Mechanism of Intrinsic Antibiotic Resistance.

El-Halfawy OM, Klett J, Ingram RJ, Loutet SA, Murphy ME, Martín-Santamaría S, Valvano MA.

MBio. 2017 Mar 14;8(2). pii: e00225-17. doi: 10.1128/mBio.00225-17.

12.

Virtual Screening Approaches towards the Discovery of Toll-Like Receptor Modulators.

Pérez-Regidor L, Zarioh M, Ortega L, Martín-Santamaría S.

Int J Mol Sci. 2016 Sep 9;17(9). pii: E1508. doi: 10.3390/ijms17091508. Review.

13.

Computational Approaches to Toll-Like Receptor 4 Modulation.

Billod JM, Lacetera A, Guzmán-Caldentey J, Martín-Santamaría S.

Molecules. 2016 Jul 30;21(8). pii: E994. doi: 10.3390/molecules21080994. Review.

14.

Glycomimetics Targeting Glycosyltransferases: Synthetic, Computational and Structural Studies of Less-Polar Conjugates.

Ghirardello M, de Las Rivas M, Lacetera A, Delso I, Lira-Navarrete E, Tejero T, Martín-Santamaría S, Hurtado-Guerrero R, Merino P.

Chemistry. 2016 May 17;22(21):7215-24. doi: 10.1002/chem.201600467. Epub 2016 Apr 13.

PMID:
27071848
15.

Glycolipid-based TLR4 Modulators and Fluorescent Probes: Rational Design, Synthesis, and Biological Properties.

Ciaramelli C, Calabrese V, Sestito SE, Pérez-Regidor L, Klett J, Oblak A, Jerala R, Piazza M, Martín-Santamaría S, Peri F.

Chem Biol Drug Des. 2016 Aug;88(2):217-29. doi: 10.1111/cbdd.12749. Epub 2016 Mar 11.

PMID:
26896420
16.

Molecular Basis of the Functional Differences between Soluble Human Versus Murine MD-2: Role of Val135 in Transfer of Lipopolysaccharide from CD14 to MD-2.

Vašl J, Oblak A, Peternelj TT, Klett J, Martín-Santamaría S, Gioannini TL, Weiss JP, Jerala R.

J Immunol. 2016 Mar 1;196(5):2309-18. doi: 10.4049/jimmunol.1502074. Epub 2016 Jan 29.

17.

Activation of Human Toll-like Receptor 4 (TLR4)·Myeloid Differentiation Factor 2 (MD-2) by Hypoacylated Lipopolysaccharide from a Clinical Isolate of Burkholderia cenocepacia.

Di Lorenzo F, Kubik Ł, Oblak A, Lorè NI, Cigana C, Lanzetta R, Parrilli M, Hamad MA, De Soyza A, Silipo A, Jerala R, Bragonzi A, Valvano MA, Martín-Santamaría S, Molinaro A.

J Biol Chem. 2015 Aug 28;290(35):21305-19. doi: 10.1074/jbc.M115.649087. Epub 2015 Jul 9.

18.

Conformational Plasticity in Glycomimetics: Fluorocarbamethyl-L-idopyranosides Mimic the Intrinsic Dynamic Behaviour of Natural Idose Rings.

Unione L, Xu B, Díaz D, Martín-Santamaría S, Poveda A, Sardinha J, Rauter AP, Blériot Y, Zhang Y, Cañada FJ, Sollogoub M, Jiménez-Barbero J.

Chemistry. 2015 Jul 13;21(29):10513-21. doi: 10.1002/chem.201501249. Epub 2015 Jun 10.

PMID:
26096911
19.

Modulation of toll-like receptor 4. Insights from x-ray crystallography and molecular modeling.

Klett J, Reeves J, Oberhauser N, Pérez-Regidor L, Martín-Santamaria S.

Curr Top Med Chem. 2014;14(23):2672-83. Review.

PMID:
25515751
20.

Editorial :Chemistry Bordering Biology: highlights from the XXXIV Biennial Meeting of the RSEQ.

Goya P, Martin-Santamaria S.

Curr Top Med Chem. 2014;14(23):2625-6. No abstract available.

PMID:
25515743
21.

Chemistry of lipid A: at the heart of innate immunity.

Molinaro A, Holst O, Di Lorenzo F, Callaghan M, Nurisso A, D'Errico G, Zamyatina A, Peri F, Berisio R, Jerala R, Jiménez-Barbero J, Silipo A, Martín-Santamaría S.

Chemistry. 2015 Jan 7;21(2):500-19. doi: 10.1002/chem.201403923. Epub 2014 Oct 29. Review.

PMID:
25353096
22.

Serine versus threonine glycosylation with α-O-GalNAc: unexpected selectivity in their molecular recognition with lectins.

Madariaga D, Martínez-Sáez N, Somovilla VJ, García-García L, Berbis MÁ, Valero-Gónzalez J, Martín-Santamaría S, Hurtado-Guerrero R, Asensio JL, Jiménez-Barbero J, Avenoza A, Busto JH, Corzana F, Peregrina JM.

Chemistry. 2014 Sep 22;20(39):12616-27. doi: 10.1002/chem.201403700. Epub 2014 Aug 8.

PMID:
25111627
23.

gem-Difluorocarbadisaccharides: restoring the exo-anomeric effect.

Xu B, Unione L, Sardinha J, Wu S, Ethève-Quelquejeu M, Pilar Rauter A, Blériot Y, Zhang Y, Martín-Santamaría S, Díaz D, Jiménez-Barbero J, Sollogoub M.

Angew Chem Int Ed Engl. 2014 Sep 1;53(36):9597-602. doi: 10.1002/anie.201405008. Epub 2014 Jul 15.

PMID:
25044775
24.

Modulation of CD14 and TLR4·MD-2 activities by a synthetic lipid A mimetic.

Cighetti R, Ciaramelli C, Sestito SE, Zanoni I, Kubik Ł, Ardá-Freire A, Calabrese V, Granucci F, Jerala R, Martín-Santamaría S, Jiménez-Barbero J, Peri F.

Chembiochem. 2014 Jan 24;15(2):250-8. doi: 10.1002/cbic.201300588. Epub 2013 Dec 12.

25.

Conformational selection in glycomimetics: human galectin-1 only recognizes syn-Ψ-type conformations of β-1,3-linked lactose and its C-glycosyl derivative.

Vidal P, Roldós V, Fernández-Alonso Mdel C, Vauzeilles B, Bleriot Y, Cañada FJ, André S, Gabius HJ, Jiménez-Barbero J, Espinosa JF, Martín-Santamaría S.

Chemistry. 2013 Oct 18;19(43):14581-90. doi: 10.1002/chem.201301244. Epub 2013 Sep 17.

PMID:
24105715
26.

Interactions of bacterial cell division protein FtsZ with C8-substituted guanine nucleotide inhibitors. A combined NMR, biochemical and molecular modeling perspective.

Marcelo F, Huecas S, Ruiz-Ávila LB, Cañada FJ, Perona A, Poveda A, Martín-Santamaría S, Morreale A, Jiménez-Barbero J, Andreu JM.

J Am Chem Soc. 2013 Nov 6;135(44):16418-28. doi: 10.1021/ja405515r. Epub 2013 Oct 24.

PMID:
24079270
27.

Towards β-selectivity in functional estrogen receptor antagonists.

Rodríguez JJ, Filipiak K, Maslyk M, Ciepielski J, Demkowicz S, de Pascual-Teresa S, Martín-Santamaría S, de Pascual-Teresa B, Ramos A.

Org Biomol Chem. 2012 Sep 28;10(36):7334-46. doi: 10.1039/c2ob26062j.

PMID:
22847655
28.

MMP-2 selectivity in hydroxamate-type inhibitors.

Serra P, Bruczko M, Zapico JM, Puckowska A, Garcia MA, Martin-Santamaria S, Ramos A, de Pascual-Teresa B.

Curr Med Chem. 2012;19(7):1036-64. Review.

PMID:
22257051
29.

Potential anti-inflammatory, anti-adhesive, anti/estrogenic, and angiotensin-converting enzyme inhibitory activities of anthocyanins and their gut metabolites.

Hidalgo M, Martin-Santamaria S, Recio I, Sanchez-Moreno C, de Pascual-Teresa B, Rimbach G, de Pascual-Teresa S.

Genes Nutr. 2012 Apr;7(2):295-306. doi: 10.1007/s12263-011-0263-5. Epub 2012 Jan 5.

30.

Structure of micelle-bound adrenomedullin: a first step toward the analysis of its interactions with receptors and small molecules.

Pérez-Castells J, Martín-Santamaría S, Nieto L, Ramos A, Martínez A, Pascual-Teresa Bd, Jiménez-Barbero J.

Biopolymers. 2012 Jan;97(1):45-53. doi: 10.1002/bip.21700. Epub 2011 Aug 9.

PMID:
21830197
31.

Multisite-directed inhibitors of protein kinase CK2: new challenges.

Świder R, Masłyk M, Martín-Santamaría S, Ramos A, de Pascual-Teresa B.

Mol Cell Biochem. 2011 Oct;356(1-2):117-9. doi: 10.1007/s11010-011-0962-7. Epub 2011 Jul 13.

PMID:
21750979
32.

Structural aspects of binding of α-linked digalactosides to human galectin-1.

Miller MC, Ribeiro JP, Roldós V, Martín-Santamaría S, Cañada FJ, Nesmelova IA, André S, Pang M, Klyosov AA, Baum LG, Jiménez-Barbero J, Gabius HJ, Mayo KH.

Glycobiology. 2011 Dec;21(12):1627-41. doi: 10.1093/glycob/cwr083. Epub 2011 Jun 28.

33.

Symmetric dithiodigalactoside: strategic combination of binding studies and detection of selectivity between a plant toxin and human lectins.

Martín-Santamaría S, André S, Buzamet E, Caraballo R, Fernández-Cureses G, Morando M, Ribeiro JP, Ramírez-Gualito K, de Pascual-Teresa B, Cañada FJ, Menéndez M, Ramström O, Jiménez-Barbero J, Solís D, Gabius HJ.

Org Biomol Chem. 2011 Aug 7;9(15):5445-55. doi: 10.1039/c0ob01235a. Epub 2011 Jun 10.

PMID:
21660340
34.

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
35.

Rational design of a Tn antigen mimic.

Corzana F, Busto JH, Marcelo F, de Luis MG, Asensio JL, Martín-Santamaría S, Sáenz Y, Torres C, Jiménez-Barbero J, Avenoza A, Peregrina JM.

Chem Commun (Camb). 2011 May 14;47(18):5319-21. doi: 10.1039/c1cc10192g. Epub 2011 Mar 31.

PMID:
21451866
36.

Engineering O-glycosylation points in non-extended peptides: implications for the molecular recognition of short tumor-associated glycopeptides.

Corzana F, Busto JH, Marcelo F, García de Luis M, Asensio JL, Martín-Santamaría S, Jiménez-Barbero J, Avenoza A, Peregrina JM.

Chemistry. 2011 Mar 7;17(11):3105-10. doi: 10.1002/chem.201003124. Epub 2011 Feb 8.

PMID:
21305626
37.

Mimicking chitin: chemical synthesis, conformational analysis, and molecular recognition of the beta(1-->3) N-acetylchitopentaose analogue.

Morando M, Yao Y, Martín-Santamaría S, Zhu Z, Xu T, Cañada FJ, Zhang Y, Jiménez-Barbero J.

Chemistry. 2010 Apr 12;16(14):4239-49. doi: 10.1002/chem.200902860.

PMID:
20229531
38.

Assessing carbohydrate-carbohydrate interactions by NMR spectroscopy: the trisaccharide epitope from the marine sponge Microciona prolifera.

Santos JI, Carvalho de Souza A, Cañada FJ, Martín-Santamaría S, Kamerling JP, Jiménez-Barbero J.

Chembiochem. 2009 Feb 13;10(3):511-9. doi: 10.1002/cbic.200800548.

PMID:
19123195
39.

New scaffolds for the design of selective estrogen receptor modulators.

Martín-Santamaría S, Rodríguez JJ, de Pascual-Teresa S, Gordon S, Bengtsson M, Garrido-Laguna I, Rubio-Viqueira B, López-Casas PP, Hidalgo M, de Pascual-Teresa B, Ramos A.

Org Biomol Chem. 2008 Oct 7;6(19):3486-96. doi: 10.1039/b806918b. Epub 2008 Aug 4.

PMID:
19082149
40.

Small-molecule negative modulators of adrenomedullin: design, synthesis, and 3D-QSAR study.

Roldós V, Martín-Santamaría S, Julián M, Martínez A, Choulier L, Altschuh D, de Pascual-Teresa B, Ramos A.

ChemMedChem. 2008 Sep;3(9):1345-55. doi: 10.1002/cmdc.200800066.

PMID:
18759242
41.

Selective human adenosine A3 antagonists based on pyrido[2,1-f]purine-2,4-diones: novel features of hA3 antagonist binding.

Priego EM, Pérez-Pérez MJ, von Frijtag Drabbe Kuenzel JK, de Vries H, Ijzerman AP, Camarasa MJ, Martín-Santamaría S.

ChemMedChem. 2008 Jan;3(1):111-9.

PMID:
18000937
42.

Adrenomedullin: a new and promising target for drug discovery.

García MA, Martín-Santamaría S, de Pascual-Teresa B, Ramos A, Julián M, Martínez A.

Expert Opin Ther Targets. 2006 Apr;10(2):303-17. Review.

PMID:
16548778
43.

Synthesis, biological evaluation, and three-dimensional quantitative structure-activity relationship study of small-molecule positive modulators of adrenomedullin.

García MA, Martín-Santamaría S, Cacho M, de la Llave FM, Julián M, Martínez A, de Pascual-Teresa B, Ramos A.

J Med Chem. 2005 Jun 16;48(12):4068-75.

PMID:
15943480
44.

Adrenomedullin: a new target for the design of small molecule modulators with promising pharmacological activities.

Julián M, Cacho M, García MA, Martín-Santamaría S, de Pascual-Teresa B, Ramos A, Martínez A, Cuttitta F.

Eur J Med Chem. 2005 Aug;40(8):737-50. Review.

PMID:
15927308
45.

ET-18-OCH3 (edelfosine): a selective antitumour lipid targeting apoptosis through intracellular activation of Fas/CD95 death receptor.

Mollinedo F, Gajate C, Martín-Santamaría S, Gago F.

Curr Med Chem. 2004 Dec;11(24):3163-84. Review.

PMID:
15579006
46.

Modulation of binding strength in several classes of active site inhibitors of acetylcholinesterase studied by comparative binding energy analysis.

Martín-Santamaría S, Muñoz-Muriedas J, Luque FJ, Gago F.

J Med Chem. 2004 Aug 26;47(18):4471-82.

PMID:
15317459
47.
48.

Role of histidine-85 in the catalytic mechanism of thymidine phosphorylase as assessed by targeted molecular dynamics simulations and quantum mechanical calculations.

Mendieta J, Martín-Santamaría S, Priego EM, Balzarini J, Camarasa MJ, Pérez-Pérez MJ, Gago F.

Biochemistry. 2004 Jan 20;43(2):405-14.

PMID:
14717594
49.

Development of a new family of conformationally restricted peptides as potent nucleators of beta-turns. Design, synthesis, structure, and biological evaluation of a beta-lactam peptide analogue of melanostatin.

Palomo C, Aizpurua JM, Benito A, Miranda JI, Fratila RM, Matute C, Domercq M, Gago F, Martin-Santamaria S, Linden A.

J Am Chem Soc. 2003 Dec 31;125(52):16243-60.

PMID:
14692766
50.

Guanidinium receptors as enantioselective amino acid membrane carriers.

Breccia P, Van Gool M, Pérez-Fernández R, Martín-Santamaría S, Gago F, Prados P, de Mendoza J.

J Am Chem Soc. 2003 Jul 9;125(27):8270-84.

PMID:
12837099

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