Personal information

Computer-assisted drug design, Structural bioinformatics, Pharmaco-Informatics
Spain

Activities

Works (34)

Optimization of kinetic stabilizers of tetrameric transthyretin: A prospective ligand efficiency-guided approach.

Bioorganic & medicinal chemistry
2020-10-06 | Journal article
Contributors: Cotrina EY; Blasi D; Vilà M; Antoni Planas; Abad-Zapatero C; Centeno NB; Quintana J; GEMMA ARSEQUELL
Source: Self-asserted source
Centeno N B

Modulation of the fibrillogenesis inhibition properties of two transthyretin ligands by halogenation

Journal of Medicinal Chemistry
2013 | Journal article
EID:

2-s2.0-84889249900

Contributors: Cotrina, E.Y.; Pinto, M.; Bosch, L.; Vilà, M.; Blasi, D.; Quintana, J.; Centeno, N.B.; Arsequell, G.; Planas, A.; Valencia, G.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

Proposed bioactive conformations of opiorphin, an endogenous dual APN/NEP inhibitor

ACS Medicinal Chemistry Letters
2012 | Journal article
EID:

2-s2.0-84855877844

Contributors: Pinto, M.; Rougeot, C.; Gracia, L.; Rosa, M.; García, A.; Arsequell, G.; Valencia, G.; Centeno, N.B.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

Structure-activity relationship study of opiorphin, a human dual ectopeptidase inhibitor with antinociceptive properties

Journal of Medicinal Chemistry
2012 | Journal article
EID:

2-s2.0-84856890510

Contributors: Rosa, M.; Arsequell, G.; Rougeot, C.; Calle, L.P.; Marcelo, F.; Pinto, M.; Centeno, N.B.; Jiménez-Barbero, J.; Valencia, G.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

Ligand-binding properties of human transthyretin

Amyloid
2011 | Journal article
EID:

2-s2.0-84936410131

Contributors: Pinto, M.; Blasi, D.; Nieto, J.; Arsequell, G.; Valencia, G.; Planas, A.; Quintana, J.; Centeno, N.B.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

Retrospective mapping of SAR data for TTR protein in chemico-biological space using ligand efficiency indices as a guide to drug discovery strategies

Molecular Informatics
2011 | Journal article
EID:

2-s2.0-79958844315

Contributors: Blasi, D.; Arsequell, G.; Valencia, G.; Nieto, J.; Planas, A.; Pinto, M.; Centeno, N.B.; Abad-Zapatero, C.; Quintana, J.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

Iodine atoms: A new molecular feature for the design of potent transthyretin fibrillogenesis inhibitors

PLoS ONE
2009 | Journal article
EID:

2-s2.0-59249100931

Contributors: Mairal, T.; Nieto, J.; Pinto, M.; Almeida, M.R.; Gales, L.; Ballesteros, A.; Barluenga, J.; Pérez, J.J.; Vázquez, J.T.; Centeno, N.B. et al.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

1-, 3- and 8-substituted-9-deazaxanthines as potent and selective antagonists at the human A<inf>2B</inf> adenosine receptor

Bioorganic and Medicinal Chemistry
2008 | Journal article
EID:

2-s2.0-40949148593

Contributors: Stefanachi, A.; Brea, J.M.; Cadavid, M.I.; Centeno, N.B.; Esteve, C.; Loza, M.I.; Martinez, A.; Nieto, R.; Raviña, E.; Sanz, F. et al.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

Corrigendum to "1-, 3- and 8-substituted-9-deazaxanthines as potent and selective antagonists at the human A<inf>2B</inf>adenosine receptor" [Bioorg. Med. Chem. 16 (2008) 2852-2869] (DOI:10.1016/j.bmc.2008.01.002)

Bioorganic and Medicinal Chemistry
2008 | Journal article
EID:

2-s2.0-51449100360

Contributors: Stefanachi, A.; Brea, J.M.; Cadavid, M.I.; Centeno, N.B.; Esteve, C.; Loza, M.I.; Martinez, A.; Nieto, R.; Raviña, E.; Sanz, F. et al.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

The HERACLES cardiovascular network,Red cardiovascular HERACLES

Revista Espanola de Cardiologia
2008 | Journal article
EID:

2-s2.0-41949087504

Contributors: Marrugat, J.; López-López, J.R.; Heras, M.; Tamargo, J.; Valverde, M.; Sentí, M.; Tomás, M.; Lucas, G.; Tello, S.; Blasco, A. et al.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

Design, synthesis, and structure-activity relationships of 1-,3-,8-, and 9-substituted-9-deazaxanthines at the human A<inf>2B</inf> adenosine receptor

Journal of Medicinal Chemistry
2006 | Journal article
EID:

2-s2.0-30444448197

Contributors: Carotti, A.; Cadavid, M.I.; Centeno, N.B.; Esteve, C.; Loza, M.I.; Martinez, A.; Nieto, R.; Raviña, E.; Sanz, F.; Segarra, V. et al.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

Comparative modelling of protein structure and its impact on microbial cell factories

Microbial Cell Factories
2005 | Journal article
EID:

2-s2.0-26844535367

Contributors: Centeno, N.B.; Planas-Iglesias, J.; Oliva, B.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

8-Substituted-9-deazaxanthines as adenosine receptor ligands: Design, synthesis and structure-affinity relationships at A<inf>2B</inf>

European Journal of Medicinal Chemistry
2004 | Journal article
EID:

2-s2.0-4644258659

Contributors: Carotti, A.; Stefanachi, A.; Raviña, E.; Sotelo, E.; Loza, M.I.; Cadavid, M.I.; Centeno, N.B.; Nicolotti, O.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

Comparative analysis of putative agonist-binding modes in the human A<inf>1</inf>adenosine receptor

ChemBioChem
2004 | Journal article
EID:

2-s2.0-4544278494

Contributors: Gutiérrez-De-Terán, H.; Pastor, M.; Centeno, N.B.; Åqvist, J.; Sanz, F.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

Novel Approaches for Modeling of the A<inf>1</inf> Adenosine Receptor and Its Agonist Binding Site

Proteins: Structure, Function and Genetics
2004 | Journal article
EID:

2-s2.0-1542316348

Contributors: Gutiérrez-De-Terán, H.; Centeno, N.B.; Pastor, M.; Sanz, F.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

Teaching Structural Bioinformatics at the Undergraduate Level

Biochemistry and Molecular Biology Education
2003 | Journal article
EID:

2-s2.0-0346874420

Contributors: Centeno, N.B.; Villà-Freixa, J.; Oliva, B.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

Comparison of biomolecules on the basis of molecular interaction potentials

Journal of the Brazilian Chemical Society
2002 | Journal article
EID:

2-s2.0-0036985383

Contributors: Rodrigo, J.; Barbany, M.; Gutiérrez-de-Terán, H.; Centeno, N.B.; De-Càceres, M.; Dezi, C.; Fontaine, F.; Lozano, J.J.; Pastor, M.; Villà, J. et al.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

New serotonin 5-HT<inf>2A</inf>, 5-HT<inf>2B</inf>, and 5-HT<inf>2C</inf>receptor antagonists: Synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo and heterocycloalkanones

Journal of Medicinal Chemistry
2002 | Journal article
EID:

2-s2.0-0037011897

Contributors: Brea, J.; Rodrigo, J.; Carrieri, A.; Sanz, F.; Cadavid, M.I.; Enguix, M.J.; Villazón, M.; Mengod, G.; Caro, Y.; Masaguer, C.F. et al.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

Pyridazine derivatives. Part 27: A joint theoretical and experimental approach to the synthesis of 6-phenyl-4,5-disubstituted-3(2H)-pyridazinones

Tetrahedron
2002 | Journal article
EID:

2-s2.0-0037128477

Contributors: Sotelo, E.; Centeno, N.B.; Rodrigo, J.; Raviña, E.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

Erratum: Neuronal nicotinic receptor agonists: A multi-approach development of the pharmacophore (Journal of Computer-Aided Molecular Design (2001) vol. 15 (859))

Journal of Computer-Aided Molecular Design
2001 | Journal article
EID:

2-s2.0-0035555780

Contributors: Nicolotti, O.; Pellegrini-Calace, M.; Carrieri, A.; Altomare, C.; Centeno, N.B.; Sanz, F.; Carotti, A.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

Neuronal nicotinic receptor agonists: A multi-approach development of the pharmacophore

Journal of Computer-Aided Molecular Design
2001 | Journal article
EID:

2-s2.0-0035211319

Contributors: Nicolotti, O.; Pellegrini-Calace, M.; Carrieri, A.; Altomare, C.; Centeno, N.B.; Sanz, F.; Carotti, A.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

Theoretical evidence of a salt bridge disruption as the initiating process for the α<inf>1d</inf>-adrenergic receptor activation: A molecular dynamics and docking study

Proteins: Structure, Function and Genetics
2001 | Journal article
EID:

2-s2.0-0035371114

Contributors: Carrieri, A.; Centeno, N.B.; Rodrigo, J.; Sanz, F.; Carotti, A.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

3D-QSAR methods on the basis of ligand-receptor complexes. Application of COMBINE and GRID/GOLPE methodologies to a series of CYP1A2 ligands

Journal of Computer-Aided Molecular Design
2000 | Journal article
EID:

2-s2.0-0034050042

Contributors: Lozano, J.J.; Pastor, M.; Cruciani, G.; Gaedt, K.; Centeno, N.B.; Gago, F.; Sanz, F.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

A proposed bioactive conformation of Peptide T

Journal of Computer-Aided Molecular Design
1998 | Journal article
EID:

2-s2.0-0031638051

Contributors: Centeno, N.B.; Perez, J.J.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

A proposed bioactive form of peptide T and the design of peptidomimetics

Letters in Peptide Science
1998 | Journal article
EID:

2-s2.0-0011688948

Contributors: Llorens, O.; Centeno, N.B.; Filizola, M.; Spisani, S.; Marastoni, M.; Calafell, M.; Herranz, C.; Perez, J.J.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

Conformational analysis of the highly potent bradykinin antagonist hoe-140 by means of two different computational methods

Journal of Biomolecular Structure and Dynamics
1998 | Journal article
EID:

2-s2.0-0031918953

Contributors: Filizola, M.; Centeno, N.B.; Cartení-Farina, M.; Perez, J.J.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

Computational study of the conformational domains of peptide T

Journal of Peptide Science
1997 | Journal article
EID:

2-s2.0-0031087183

Contributors: Filizola, M.; Centeno, N.B.; Perez, J.J.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

Conformational study of the preferred conformations of the peptide sequence VP3(110-121) of HAV by circular dichroism and molecular mechanics

Letters in Peptide Science
1997 | Journal article
EID:

2-s2.0-0345538157

Contributors: Canto, J.; Perez, J.A.; Centeno, N.B.; Haro, I.; Perez, J.J.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

Three-dimensional modelling of human cytochrome P450 1A2 and its interaction with caffeine and MeIQ

Journal of Computer-Aided Molecular Design
1997 | Journal article
EID:

2-s2.0-0031181686

Contributors: Lozano, J.J.; López-De-Briñas, E.; Centeno, N.B.; Guigó, R.; Sanz, F.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

New insights into the multiple minima problem

Journal of Molecular Structure: THEOCHEM
1996 | Journal article
EID:

2-s2.0-0042542512

Contributors: Perez, J.J.; Centeno, N.B.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

On the bioactive conformation of a small peptide and its set of thermodynamically accessible conformations

Journal of Biomolecular Structure and Dynamics
1996 | Journal article
EID:

2-s2.0-0029957569

Contributors: Perez, J.J.; Sharkey, M.; Centeno, N.B.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

Characterization of the conformational domains of bradykinin by computational methods

Journal of Peptide Science
1995 | Journal article
EID:

2-s2.0-0029329749

Contributors: Perez, J.J.; Sanchez, Y.M.; Centeno, N.B.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

Docking of a human rhinovirus neutralizing antibody onto the viral capsid

Proteins: Structure, Function, and Bioinformatics
1995 | Journal article
EID:

2-s2.0-0029591136

Contributors: Tormo, J.; Centeno, N.B.; Fontana, E.; Bubendorfer, T.; Fita, I.; Blaas, D.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier

New insights into the multiple minima problem associated with the conformational space of peptides

Chemical Physics Letters
1995 | Journal article
EID:

2-s2.0-0010331135

Contributors: Centeno, N.B.; Perez, J.J.
Source: Self-asserted source
Centeno N B via Scopus - Elsevier